Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000
Computed model cutoff of 3.205659643486159 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: -14.112326
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7332491576671636, total energy = -14.112325543419747

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: -14.112326
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7332491591572756, total energy = -14.112325543419754

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: -14.112326
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.73324915766716, total energy = -14.112325543419752

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: -14.112326
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.733249156456447, total energy = -14.112325543419747

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: -14.112326
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.733249154686931, total energy = -14.11232554341975

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: -14.112326
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7332491610199225, total energy = -14.11232554341975

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: -14.112326
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7332491583656524, total energy = -14.112325543419757

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: -14.112326
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.733249155804515, total energy = -14.112325543419749

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: -14.112326
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.733249156177046, total energy = -14.112325543419754

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: -14.112326
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.733249156328385, total energy = -14.112325543419752

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: -14.112326
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.733249159995467, total energy = -14.11232554341975

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: -14.112326
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7332491638138885, total energy = -14.112325543419747

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: -14.112326
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7332491651177406, total energy = -14.112325543419749

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: -14.112326
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7332491658627984, total energy = -14.112325543419745

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: -14.112326
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.733249155431986, total energy = -14.112325543419747

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: -14.112326
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.7332491591572756, total energy = -14.11232554341975

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: -14.112326
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7332491546869275, total energy = -14.112325543419747

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: -14.112326
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.733249152661301, total energy = -14.112325543419749

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: -14.112326
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7332491634413607, total energy = -14.112325543419749

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 = [2.73324916] Angstroms and c = 3.5707017482066243 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.196799
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 3.4174287788639335, c = 3.1073126136467417, total energy = -17.196799338512157

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 3.7938706074695383 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.196799
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 3.417428789643496, c = 3.10731261575967, total energy = -17.196799338512154

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 4.017039466732452 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.196799
         Iterations: 82
         Function evaluations: 170
Results for this minimization:
  a = 3.4174287798921625, c = 3.107312613400745, total energy = -17.196799338512157

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 4.240208325995367 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.114176
         Iterations: 69
         Function evaluations: 142
Results for this minimization:
  a = 2.7256654826780853, c = 4.487613455470769, total energy = -14.114176299649392

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 4.46337718525828 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.114176
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 2.7256654806491953, c = 4.487613474806253, total energy = -14.11417629964939

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 4.686546044521194 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.114176
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.7256654749902554, c = 4.487613445878345, total energy = -14.114176299649388

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 4.909714903784108 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.114176
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.725665475283576, c = 4.487613498096107, total energy = -14.114176299649392

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 5.1328837630470225 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.114176
         Iterations: 79
         Function evaluations: 167
Results for this minimization:
  a = 2.725665478188808, c = 4.487613463637172, total energy = -14.114176299649392

Attempting to perform relaxation using initial lattice constant guess of a = [2.73324916] Angstroms and c = 5.356052622309936 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.114176
         Iterations: 80
         Function evaluations: 173
Results for this minimization:
  a = 2.7256654742484683, c = 4.487613482097556, total energy = -14.114176299649392