Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002
Computed model cutoff of 3.717145432829863 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: -10.807001
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.059300145506864, total energy = -10.807001082508153

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: -10.807001
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0593001428525897, total energy = -10.807001082508146

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: -10.807001
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.0593001468805596, total energy = -10.807001082508144

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: -10.807001
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.059300144109882, total energy = -10.807001082508151

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: -10.807001
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.059300145576712, total energy = -10.807001082508148

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: -10.807001
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.0593001433531777, total energy = -10.807001082508148

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: -10.807001
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.05930014353944, total energy = -10.807001082508151

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: -10.807001
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.059300148161128, total energy = -10.807001082508144

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: -10.807001
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.0593001425266295, total energy = -10.807001082508146

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: -10.807001
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.059300145320596, total energy = -10.807001082508146

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: -10.807001
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.059300148300828, total energy = -10.80700108250814

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: -10.807001
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 3.059300144031294, total energy = -10.80700108250815

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: -10.807001
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.059300146996975, total energy = -10.807001082508148

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: -10.807001
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.0593001411762106, total energy = -10.807001082508151

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: -10.807001
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.0593001472472676, total energy = -10.807001082508153

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: -10.807001
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.0593001382658254, total energy = -10.807001082508155

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: -10.807001
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.059300145506859, total energy = -10.807001082508151

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: -10.807001
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.0593001456873026, total energy = -10.807001082508151

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: -10.807001
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.0593001453962643, total energy = -10.80700108250814

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: -10.807001
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.059300144371809, total energy = -10.807001082508146

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: -10.807001
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.059300148673356, total energy = -10.807001082508144

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: -10.807001
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.059300141362473, total energy = -10.80700108250815

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: -10.807001
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.059300140477717, total energy = -10.807001082508142

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 3.9966529646812257 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.481251
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 3.8557225967208915, c = 3.3683715260185285, total energy = -12.481250894595096

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.246443774973803 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.481251
         Iterations: 81
         Function evaluations: 171
Results for this minimization:
  a = 3.855722609595431, c = 3.36837151485002, total energy = -12.481250894595092

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.49623458526638 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807001
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.059300152984102, c = 4.995816187440876, total energy = -10.807001082508151

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.746025395558957 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807001
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 3.05930013962141, c = 4.995816219017457, total energy = -10.807001082508151

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 4.995816205851534 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807001
         Iterations: 65
         Function evaluations: 137
Results for this minimization:
  a = 3.059300142864987, c = 4.995816203347167, total energy = -10.80700108250815

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.245607016144111 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807001
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 3.0593001487641653, c = 4.995816203542173, total energy = -10.80700108250815

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.495397826436688 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807001
         Iterations: 78
         Function evaluations: 167
Results for this minimization:
  a = 3.0593001425184974, c = 4.995816241403818, total energy = -10.807001082508144

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.745188636729265 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807001
         Iterations: 81
         Function evaluations: 173
Results for this minimization:
  a = 3.0593001340328976, c = 4.9958162374086115, total energy = -10.807001082508146

Attempting to perform relaxation using initial lattice constant guess of a = [3.05930014] Angstroms and c = 5.994979447021842 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807001
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 3.0593001441161594, c = 4.995816218971777, total energy = -10.807001082508144