Element = Lattice = Model = Element: C
Lattice: hcp
Model: Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
Computed model cutoff of 2.1499999973923365 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: -11.561047
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 1.9368048399686837, total energy = -11.561047377826727

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: -11.561047
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 1.9368048371979967, total energy = -11.561047377826723

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: -11.561047
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.9368048378964886, total energy = -11.561047377826725

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: -11.561047
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 1.9368048406671752, total energy = -11.56104737782672

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: -11.561047
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 1.936804837547244, total energy = -11.561047377826725

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: -11.561047
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.936804837174714, total energy = -11.561047377826721

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: -11.561047
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 1.9368048390373591, total energy = -11.561047377826723

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: -11.561047
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 1.9368048375472426, total energy = -11.561047377826721

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: -11.561047
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 1.9368048414587977, total energy = -11.561047377826723

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: -11.561047
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.9368048400618134, total energy = -11.561047377826728

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: -11.561047
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 1.9368048369884487, total energy = -11.561047377826721

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 = [1.93680484] Angstroms and c = 2.5302312477355873 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.4885502260797967, c = 2.147096730771911, total energy = -16.31661982478707

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 2.6883707007190614 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 82
         Function evaluations: 163
Results for this minimization:
  a = 2.4885502112630173, c = 2.1470967379911645, total energy = -16.31661982478709

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 2.8465101537025355 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 81
         Function evaluations: 163
Results for this minimization:
  a = 2.4885502142273435, c = 2.1470967428078525, total energy = -16.316619824787086

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.0046496066860096 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 86
         Function evaluations: 174
Results for this minimization:
  a = 2.488550223421654, c = 2.147096738618094, total energy = -16.31661982478711

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.1627890596694836 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.561048
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 1.9366369622160773, c = 3.163337727033129, total energy = -11.561048028273515

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.3209285126529577 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.316620
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 2.4885502227539233, c = 2.1470967380664137, total energy = -16.316619824787068

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.479067965636432 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.495172
         Iterations: 89
         Function evaluations: 195
Results for this minimization:
  a = 1.8570220054436513, c = 3.9029117750979907, total energy = -11.495171761645349

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.637207418619906 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.495172
         Iterations: 87
         Function evaluations: 207
Results for this minimization:
  a = 1.8570220103380874, c = 3.9132209607225716, total energy = -11.495171761645352

Attempting to perform relaxation using initial lattice constant guess of a = [1.93680484] Angstroms and c = 3.79534687160338 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.495172
         Iterations: 95
         Function evaluations: 218
Results for this minimization:
  a = 1.857022006819892, c = 4.561424384752001, total energy = -11.495171761645354