Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
Computed model cutoff of 3.2999656391889007 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: -16.749650
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7217330962419544, total energy = -16.749650045626105

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: -16.749650
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7217330946470613, total energy = -16.749650045626105

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: -16.749650
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.721733092330396, total energy = -16.749650045626105

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: -16.749650
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7217330941115563, total energy = -16.749650045626108

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: -16.749650
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.721733094751837, total energy = -16.749650045626108

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: -16.749650
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.721733084321024, total energy = -16.749650045626105

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: -16.749650
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.721733099967242, total energy = -16.749650045626105

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: -16.749650
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.721733087208122, total energy = -16.7496500456261

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: -16.749650
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.721733094751836, total energy = -16.749650045626105

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: -16.749650
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7217331024003224, total energy = -16.7496500456261

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: -16.749650
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.721733095590026, total energy = -16.749650045626105

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: -16.749650
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.721733093401416, total energy = -16.749650045626105

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: -16.749650
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.721733085811138, total energy = -16.749650045626105

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: -16.749650
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7217330918181695, total energy = -16.7496500456261

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: -16.749650
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7217330860439697, total energy = -16.749650045626105

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: -16.749650
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7217330962419504, total energy = -16.7496500456261

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: -16.749650
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7217330969870077, total energy = -16.7496500456261

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: -16.749650
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.721733092330396, total energy = -16.749650045626105

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: -16.749650
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7217330927960575, total energy = -16.749650045626105

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: -16.749650
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7217330997809763, total energy = -16.749650045626105

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 3.5556572248638827 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.7179115856198726, c = 4.456970772405786, total energy = -16.749828678535852

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 3.7778858014178756 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.7179115796650426, c = 4.456970813036562, total energy = -16.749828678535856

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 4.000114377971869 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.717911595424502, c = 4.456970783044838, total energy = -16.749828678535852

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 4.222342954525861 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.717911601298787, c = 4.456970749339427, total energy = -16.749828678535856

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 4.444571531079854 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.7179115926018578, c = 4.456970780813425, total energy = -16.749828678535856

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 4.666800107633847 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.717911577210436, c = 4.456970803305715, total energy = -16.749828678535852

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 4.88902868418784 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.7179116019921663, c = 4.456970787007217, total energy = -16.749828678535852

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 5.111257260741833 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.717911583930645, c = 4.456970813613546, total energy = -16.749828678535856

Attempting to perform relaxation using initial lattice constant guess of a = [2.72173309] Angstroms and c = 5.333485837295825 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.749829
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.717911600136199, c = 4.456970744570301, total energy = -16.749828678535852

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

 Final lattice Constants:
   a = 2.7179115796650426 Angstroms, c = 4.456970813036562 Angstroms, c/a = 1.639851

 Total energy: -16.749828678535856 eV

 Cohesive energy: -4.187457169633964 eV/atom

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