Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
Computed model cutoff of 2.360506933778559 Angstroms
Computed isolated atomic energy of 0.0 eV for species C

==============================================================================
==============================================================================
 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: -6.616793
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.976491326186808, total energy = -6.616792936944536

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: -6.616793
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 1.9764913233462722, total energy = -6.616792936944536

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: -6.616793
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 1.976491323846858, total energy = -6.616792936944538

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: -6.616793
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.9764913270249986, total energy = -6.616792936944536

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: -6.616793
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 1.9764913178980361, total energy = -6.616792936944533

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: -6.616793
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 1.9764913241611806, total energy = -6.61679293694454

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: -6.616793
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.97649132439401, total energy = -6.616792936944542

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: -6.616793
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 1.9764913244289346, total energy = -6.6167929369445435

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: -6.616793
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 1.9764913260936736, total energy = -6.616792936944545

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: -6.616793
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.976491327385884, total energy = -6.616792936944549

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: -6.616793
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.9764913279563183, total energy = -6.616792936944545

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: -6.616793
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.976491321361391, total energy = -6.616792936944542

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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 = [1.97649133] Angstroms and c = 2.5820774576702035 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.598534
         Iterations: 84
         Function evaluations: 175
Results for this minimization:
  a = 2.55761051339696, c = 2.147738013686367, total energy = -9.598533568081324

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 2.743457298774591 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.598534
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.557610506014222, c = 2.147738017953889, total energy = -9.59853356808132

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 2.9048371398789787 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.598534
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.5576105088891263, c = 2.1477380094911473, total energy = -9.598533568081326

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 3.0662169809833664 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.185654
         Iterations: 93
         Function evaluations: 213
Results for this minimization:
  a = 1.8427972213886483, c = 4.315234687094683, total energy = -10.185654273109131

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 3.227596822087754 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.185654
         Iterations: 74
         Function evaluations: 177
Results for this minimization:
  a = 1.8427972229583838, c = 4.293940479339809, total energy = -10.185654273109128

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 3.3889766631921416 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.185654
         Iterations: 85
         Function evaluations: 195
Results for this minimization:
  a = 1.8427972273568334, c = 4.289556260636488, total energy = -10.185654273109135

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 3.5503565042965293 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.185654
         Iterations: 85
         Function evaluations: 182
Results for this minimization:
  a = 1.8427972233251926, c = 4.247043545118519, total energy = -10.185654273109133

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 3.711736345400917 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.185654
         Iterations: 91
         Function evaluations: 197
Results for this minimization:
  a = 1.8427972350633768, c = 4.352098471624998, total energy = -10.185654273109122

Attempting to perform relaxation using initial lattice constant guess of a = [1.97649133] Angstroms and c = 3.8731161865053045 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.185654
         Iterations: 85
         Function evaluations: 187
Results for this minimization:
  a = 1.8427972228654461, c = 4.31243649900369, total energy = -10.185654273109131