Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Tersoff_LAMMPS_Tersoff_1988T2_Si__MO_245095684871_002
Computed model cutoff of 3.2000000000745232 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: -16.316906
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7300566371530324, total energy = -16.316905663564697

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: -16.316906
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.730056643113494, total energy = -16.31690566356469

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: -16.316906
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.730056641623378, total energy = -16.316905663564693

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: -16.316906
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7300566386431515, total energy = -16.316905663564697

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: -16.316906
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7300566374557125, total energy = -16.316905663564693

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: -16.316906
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7300566405989253, total energy = -16.316905663564704

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: -16.316906
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.730056643567515, total energy = -16.316905663564693

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: -16.316906
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.730056645348668, total energy = -16.31690566356469

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: -16.316906
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7300566419959087, total energy = -16.316905663564697

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: -16.316906
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7300566450227057, total energy = -16.3169056635647

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: -16.316906
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.730056646047161, total energy = -16.316905663564693

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: -16.316906
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.7300566458143285, total energy = -16.316905663564697

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: -16.316906
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.730056643486023, total energy = -16.316905663564697

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: -16.316906
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.730056650657207, total energy = -16.31690566356469

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: -16.316906
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7300566386431453, total energy = -16.316905663564697

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: -16.316906
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.730056633637286, total energy = -16.316905663564693

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: -16.316906
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7300566419959065, total energy = -16.316905663564693

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: -16.316906
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7300566423218697, total energy = -16.316905663564693

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: -16.316906
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.730056636966765, total energy = -16.31690566356469

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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 = [2.73005664] Angstroms and c = 3.5665310604608904 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.728935803833749, c = 4.461827702484433, total energy = -16.31694804878659

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 3.789439251739696 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.7289358025033197, c = 4.461827734791266, total energy = -16.31694804878658

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 4.012347443018502 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.7289358029583224, c = 4.461827707697919, total energy = -16.316948048786582

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 4.235255634297307 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 70
         Function evaluations: 144
Results for this minimization:
  a = 2.728935807502844, c = 4.46182769382944, total energy = -16.316948048786585

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 4.458163825576113 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.728935801719219, c = 4.461827699044987, total energy = -16.316948048786585

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 4.681072016854918 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.7289357891880863, c = 4.461827724538303, total energy = -16.31694804878658

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 4.903980208133724 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.7289357930835942, c = 4.461827723708987, total energy = -16.31694804878658

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 5.126888399412529 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.7289358090637776, c = 4.461827708207293, total energy = -16.316948048786585

Attempting to perform relaxation using initial lattice constant guess of a = [2.73005664] Angstroms and c = 5.349796590691335 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316948
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.728935793946626, c = 4.4618277271264155, total energy = -16.31694804878658

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

 Final lattice Constants:
   a = 2.728935803833749 Angstroms, c = 4.461827702484433 Angstroms, c/a = 1.635006

 Total energy: -16.31694804878659 eV

 Cohesive energy: -4.079237012196647 eV/atom

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