Element = Lattice = Model = Element: Ge
Lattice: hcp
Model: Tersoff_LAMMPS_MahdizadehAkhlamadi_2017_Ge__MO_344019981553_000
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: -21.236233
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.761125832051042, total energy = -21.23623333216722

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: -21.236233
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.761125840246677, total energy = -21.236233332167217

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: -21.236233
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7611258318647742, total energy = -21.236233332167213

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: -21.236233
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.761125840712345, total energy = -21.236233332167217

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: -21.236233
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.76112584024668, total energy = -21.236233332167224

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: -21.236233
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7611258268822003, total energy = -21.236233332167217

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: -21.236233
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7611258378252392, total energy = -21.236233332167224

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: -21.236233
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.761125837365398, total energy = -21.236233332167224

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: -21.236233
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7611258326098342, total energy = -21.236233332167217

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: -21.236233
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7611258445074798, total energy = -21.236233332167224

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: -21.236233
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.761125853657723, total energy = -21.236233332167213

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: -21.236233
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7611258394317697, total energy = -21.236233332167224

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: -21.236233
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7611258472315967, total energy = -21.236233332167213

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: -21.236233
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.761125846952201, total energy = -21.23623333216722

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: -21.236233
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7611258435295896, total energy = -21.236233332167217

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: -21.236233
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7611258298158643, total energy = -21.236233332167217

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: -21.236233
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.761125844717025, total energy = -21.236233332167217

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: -21.236233
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.76112585386727, total energy = -21.23623333216721

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: -21.236233
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7611258371733127, total energy = -21.236233332167195

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 = [2.76112584] Angstroms and c = 3.6071196929161746 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.7610963433094007, c = 4.508995940437959, total energy = -21.236233366381477

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 3.8325646737234353 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.7610963322264497, c = 4.508996082570373, total energy = -21.23623336638156

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 4.0580096545306965 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 65
         Function evaluations: 147
Results for this minimization:
  a = 2.761096271471741, c = 4.508996049190268, total energy = -21.236233366381477

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 4.283454635337957 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.761096290642256, c = 4.5089961081599395, total energy = -21.23623336638151

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 4.508899616145218 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 2.7610963624319087, c = 4.508996163986733, total energy = -21.2362333663814

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 4.734344596952479 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.76109633826929, c = 4.50899615471021, total energy = -21.23623336638149

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 4.959789577759739 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.76109630718143, c = 4.5089960468589165, total energy = -21.236233366381548

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 5.185234558567 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.7610963371453625, c = 4.508995900184862, total energy = -21.236233366381484

Attempting to perform relaxation using initial lattice constant guess of a = [2.76112584] Angstroms and c = 5.410679539374261 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.236233
         Iterations: 97
         Function evaluations: 200
Results for this minimization:
  a = 2.761096296307481, c = 4.508996151810252, total energy = -21.236233366381548

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

 Final lattice Constants:
   a = 2.7610963322264497 Angstroms, c = 4.508996082570373 Angstroms, c/a = 1.633046

 Total energy: -21.23623336638156 eV

 Cohesive energy: -5.30905834159539 eV/atom

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