Element = Lattice = Model = Element: Ge
Lattice: hcp
Model: Tersoff_LAMMPS_Tersoff_1989_SiGe__MO_350526375143_003
Computed model cutoff of 3.0999999926239443 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ge

==============================================================================
==============================================================================
 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: -13.263357
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8451099202036896, total energy = -13.263357235271329

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: -13.263357
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.845109914988279, total energy = -13.263357235271336

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: -13.263357
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.845109915593639, total energy = -13.263357235271341

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: -13.263357
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.845109917409726, total energy = -13.263357235271332

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: -13.263357
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.845109919388781, total energy = -13.263357235271346

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: -13.263357
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.845109915686774, total energy = -13.26335723527134

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: -13.263357
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.845109917875379, total energy = -13.263357235271346

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: -13.263357
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.845109911984764, total energy = -13.263357235271357

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: -13.263357
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.845109909772875, total energy = -13.263357235271336

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: -13.263357
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8451099136844293, total energy = -13.26335723527134

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: -13.263357
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8451099149882797, total energy = -13.263357235271354

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: -13.263357
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8451099144062013, total energy = -13.26335723527135

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: -13.263357
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.8451099125668406, total energy = -13.26335723527135

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: -13.263357
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8451099094003443, total energy = -13.263357235271325

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: -13.263357
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8451099111989615, total energy = -13.263357235271318

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: -13.263357
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8451099084020823, total energy = -13.263357235271325

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: -13.263357
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.845109919458627, total energy = -13.263357235271346

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: -13.263357
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8451099153608084, total energy = -13.263357235271352

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: -13.263357
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8451099184108894, total energy = -13.26335723527136

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 = [2.84510992] Angstroms and c = 3.716836033193685 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109394
         Iterations: 81
         Function evaluations: 172
Results for this minimization:
  a = 3.7323080128428803, c = 3.098878695934335, total energy = -14.109393804838998

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 3.9491382852682904 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.109394
         Iterations: 85
         Function evaluations: 175
Results for this minimization:
  a = 3.7323078014792785, c = 3.098878692795752, total energy = -14.109393804838922

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 4.181440537342896 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.263357
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.845095811974927, c = 4.646091065519237, total energy = -13.26335725269835

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 4.413742789417501 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.263357
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.8450957639826355, c = 4.646091240010559, total energy = -13.263357252698228

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 4.646045041492107 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.263357
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.8450957922931996, c = 4.646091122091675, total energy = -13.263357252698315

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 4.878347293566712 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.263357
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.8450958068342906, c = 4.646091043499275, total energy = -13.263357252698267

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 5.1106495456413175 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.263357
         Iterations: 76
         Function evaluations: 165
Results for this minimization:
  a = 2.8450957875797926, c = 4.646091176788804, total energy = -13.26335725269824

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 5.342951797715923 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.263357
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.845095796271794, c = 4.6460910776349404, total energy = -13.26335725269832

Attempting to perform relaxation using initial lattice constant guess of a = [2.84510992] Angstroms and c = 5.575254049790528 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.263357
         Iterations: 104
         Function evaluations: 208
Results for this minimization:
  a = 2.8450957839290862, c = 4.646091159274292, total energy = -13.263357252698313