Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
Computed model cutoff of 1.9995863512531347 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: -14.653714
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 1.8634090520441546, total energy = -14.65371378123959

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: -14.653714
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.8634090534877032, total energy = -14.653713781239565

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: -14.653714
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.8634090509731323, total energy = -14.653713781239585

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: -14.653714
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.8634090481326009, total energy = -14.653713781239565

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: -14.653714
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.8634090513922283, total energy = -14.65371378123958

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: -14.653714
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.863409050833434, total energy = -14.653713781239613

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: -14.653714
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 1.8634090516716242, total energy = -14.653713781239588

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: -14.653714
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 1.8634090504492633, total energy = -14.653713781239603

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: 0.000000
         Iterations: 31
         Function evaluations: 91
Results for this minimization:
  a = 2.1, total energy = 0.0

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: 0.000000
         Iterations: 31
         Function evaluations: 92
Results for this minimization:
  a = 2.125, total energy = 0.0

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 = [1.86340905] Angstroms and c = 2.434347390200445 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.402051
         Iterations: 86
         Function evaluations: 172
Results for this minimization:
  a = 2.469121325832208, c = 1.9986950662663605, total energy = -21.4020514269139

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 2.586494102087973 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.402051
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 2.4691213266879637, c = 1.9986950613377972, total energy = -21.402051426913893

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 2.7386408139755005 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.402051
         Iterations: 83
         Function evaluations: 165
Results for this minimization:
  a = 2.46912132029785, c = 1.99869506899219, total energy = -21.402051426913896

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 2.8907875258630282 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.402051
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.4691213349645063, c = 1.9986950597437436, total energy = -21.402051426913886

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 3.042934237750556 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.094476
         Iterations: 89
         Function evaluations: 199
Results for this minimization:
  a = 1.769837679423681, c = 3.515899401531002, total energy = -18.094476020599558

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 3.1950809496380836 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.094476
         Iterations: 82
         Function evaluations: 185
Results for this minimization:
  a = 1.7698376750930236, c = 3.5324905733068386, total energy = -18.094476020599544

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 3.3472276615256114 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.094476
         Iterations: 90
         Function evaluations: 203
Results for this minimization:
  a = 1.769837678762167, c = 3.5882535258691175, total energy = -18.094476020599558

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 3.499374373413139 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.094476
         Iterations: 83
         Function evaluations: 189
Results for this minimization:
  a = 1.7698376781905276, c = 3.579069036165469, total energy = -18.094476020599554

Attempting to perform relaxation using initial lattice constant guess of a = [1.86340905] Angstroms and c = 3.6515210853006668 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.094476
         Iterations: 90
         Function evaluations: 211
Results for this minimization:
  a = 1.7698376821960204, c = 3.873002091957926, total energy = -18.094476020599554