Element = Lattice = Model = Element: O
Lattice: hcp
Model: Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000
Computed model cutoff of 2.2999949739501244 Angstroms
Computed isolated atomic energy of 0.0 eV for species O

==============================================================================
==============================================================================
 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: -1.765844
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.1432945456355834, total energy = -1.7658439215116555

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: -1.765844
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.1432945496402684, total energy = -1.7658439215116595

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: -1.765844
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.1432945504784584, total energy = -1.765843921511658

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: -1.765844
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.14329454901163, total energy = -1.7658439215116593

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: -1.765844
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.1432945493608724, total energy = -1.7658439215116584

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: -1.765844
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.143294549279381, total energy = -1.7658439215116584

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: -1.765844
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.1432945449138057, total energy = -1.7658439215116548

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: -1.765844
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 2.1432945492560975, total energy = -1.7658439215116584

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: -1.765844
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.1432945452630516, total energy = -1.7658439215116548

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: -1.765844
         Iterations: 31
         Function evaluations: 66
Results for this minimization:
  a = 2.143294545821845, total energy = -1.7658439215116555

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: -1.765844
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.143294549430721, total energy = -1.7658439215116593

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: -1.765844
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.143294549989515, total energy = -1.7658439215116584

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 = [2.14329455] Angstroms and c = 2.7999882747236957 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 80
         Function evaluations: 162
Results for this minimization:
  a = 2.29976552982379, c = 3.170973528264511, total energy = -2.008763464913997

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 2.9749875418939267 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 77
         Function evaluations: 155
Results for this minimization:
  a = 2.2997655321059454, c = 3.170973534607307, total energy = -2.0087634649139963

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.1499868090641576 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 85
         Function evaluations: 173
Results for this minimization:
  a = 2.299765533772035, c = 3.1709735243165245, total energy = -2.0087634649139967

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.3249860762343886 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.008763
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.2997655264911447, c = 3.170973540500363, total energy = -2.0087634649139954

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.4999853434046195 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 86
         Function evaluations: 194
Results for this minimization:
  a = 2.05867117639018, c = 3.9942642986641332, total energy = -2.169490651141748

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.6749846105748505 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 83
         Function evaluations: 187
Results for this minimization:
  a = 2.0586711738524475, c = 4.041530279966697, total energy = -2.1694906511417473

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 3.8499838777450814 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 93
         Function evaluations: 221
Results for this minimization:
  a = 2.058671177973344, c = 4.605798917518059, total energy = -2.1694906511417478

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 4.024983144915312 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 80
         Function evaluations: 178
Results for this minimization:
  a = 2.058671176173176, c = 4.170018759920362, total energy = -2.169490651141748

Attempting to perform relaxation using initial lattice constant guess of a = [2.14329455] Angstroms and c = 4.199982412085543 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.169491
         Iterations: 91
         Function evaluations: 217
Results for this minimization:
  a = 2.0586711755887697, c = 4.72360709187736, total energy = -2.1694906511417487