Element = Lattice = Model = Element: B
Lattice: hcp
Model: Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
Computed model cutoff of 2.09999999832366 Angstroms
Computed isolated atomic energy of 0.0 eV for species B

==============================================================================
==============================================================================
 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: -6.101538
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 1.4825441163033255, total energy = -6.1015380071991405

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: -6.101538
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 1.4825441160646737, total energy = -6.101538007199139

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: -6.101538
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.4825441148132086, total energy = -6.10153800719914

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: -6.101538
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 1.4825441155117007, total energy = -6.101538007199137

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: -6.101538
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 1.4825441158376635, total energy = -6.1015380071991405

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: -6.101538
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 1.4825441162101918, total energy = -6.1015380071991405

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: -6.101538
         Iterations: 34
         Function evaluations: 69
Results for this minimization:
  a = 1.482544116280041, total energy = -6.1015380071991405

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: -6.101538
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 1.4825441153661814, total energy = -6.101538007199139

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: -6.101538
         Iterations: 36
         Function evaluations: 73
Results for this minimization:
  a = 1.4825441163033242, total energy = -6.101538007199141

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: -6.101538
         Iterations: 35
         Function evaluations: 71
Results for this minimization:
  a = 1.4825441159307946, total energy = -6.101538007199138

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.25, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.375, total energy = 0.0

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 = [1.48254412] Angstroms and c = 1.93678752325789 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.975738
         Iterations: 109
         Function evaluations: 218
Results for this minimization:
  a = 2.0989851049925887, c = 1.142568017769667, total energy = -4.975738081565523

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.057836743461508 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.975738
         Iterations: 96
         Function evaluations: 193
Results for this minimization:
  a = 2.098985106641768, c = 1.1425680169794914, total energy = -4.975738081565525

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.1788859636651257 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.101538
         Iterations: 91
         Function evaluations: 179
Results for this minimization:
  a = 1.4825441165466064, c = 2.4209844044615334, total energy = -6.101538007199141

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.299935183868744 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.101538
         Iterations: 71
         Function evaluations: 143
Results for this minimization:
  a = 1.4825441166853948, c = 2.420984404718997, total energy = -6.101538007199139

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.420984404072362 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.101538
         Iterations: 65
         Function evaluations: 136
Results for this minimization:
  a = 1.4825441174195109, c = 2.420984405910586, total energy = -6.10153800719914

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.54203362427598 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.101538
         Iterations: 84
         Function evaluations: 166
Results for this minimization:
  a = 1.482544115437801, c = 2.420984402612347, total energy = -6.10153800719914

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.6630828444795975 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.551217
         Iterations: 101
         Function evaluations: 219
Results for this minimization:
  a = 1.1955919831378603, c = 5.08473577535474, total energy = -9.551217135746388

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.7841320646832157 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.551217
         Iterations: 99
         Function evaluations: 207
Results for this minimization:
  a = 1.1955919845578076, c = 5.705449878124043, total energy = -9.551217135746388

Attempting to perform relaxation using initial lattice constant guess of a = [1.48254412] Angstroms and c = 2.905181284886834 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.551217
         Iterations: 99
         Function evaluations: 222
Results for this minimization:
  a = 1.1955919848046406, c = 4.4165955145814015, total energy = -9.551217135746388