Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_000
Computed model cutoff of 4.5000000042096095 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: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895351171526, total energy = -10.116332814432173

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: -10.116333
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.387589532270795, total energy = -10.116332814432175

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: -10.116333
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.3875895347446203, total energy = -10.116332814432171

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: -10.116333
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.3875895284698387, total energy = -10.116332814432177

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: -10.116333
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895261764546, total energy = -10.11633281443217

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: -10.116333
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.3875895335571844, total energy = -10.116332814432173

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: -10.116333
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3875895254430364, total energy = -10.116332814432173

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: -10.116333
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.3875895217061043, total energy = -10.116332814432171

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: -10.116333
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.387589536979796, total energy = -10.116332814432171

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: -10.116333
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.387589528528043, total energy = -10.116332814432171

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: -10.116333
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.3875895310658963, total energy = -10.116332814432173

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: -10.116333
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.3875895255012436, total energy = -10.116332814432171

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: -10.116333
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.387589529156685, total energy = -10.116332814432173

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: -10.116333
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.3875895418226714, total energy = -10.116332814432171

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: -10.116333
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3875895306468014, total energy = -10.116332814432173

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: -10.116333
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.3875895293429488, total energy = -10.116332814432177

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: -10.116333
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.387589526176451, total energy = -10.11633281443217

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: -10.116333
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895247329026, total energy = -10.116332814432166

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: -10.116333
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895380973797, total energy = -10.116332814432171

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: -10.116333
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.3875895289704197, total energy = -10.11633281443217

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: -10.116333
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.3875895366072646, total energy = -10.116332814432166

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.387589535955338, total energy = -10.116332814432166

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3875895217061043, total energy = -10.116332814432168

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3875895184464713, total energy = -10.116332814432171

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.387589526176451, total energy = -10.11633281443218

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.38758954217192, total energy = -10.116332814432171

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.387589520215985, total energy = -10.11633281443217

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.387589525198564, total energy = -10.116332814432178

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.387589527294035, total energy = -10.116332814432173

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -10.116333
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.3875895329139873, total energy = -10.116332814432175

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.119133895651075 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.7536800066531413, c = 2.451692775278717, total energy = -16.639648874429227

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.314079764129267 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.753680002479644, c = 2.45169277042345, total energy = -16.639648874429223

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.509025632607459 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 78
         Function evaluations: 160
Results for this minimization:
  a = 2.753680005436652, c = 2.4516927711581222, total energy = -16.639648874429227

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.7039715010856513 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.639649
         Iterations: 83
         Function evaluations: 169
Results for this minimization:
  a = 2.753680006673859, c = 2.4516927783778826, total energy = -16.639648874429227

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 3.8989173695638435 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 82
         Function evaluations: 173
Results for this minimization:
  a = 2.2336990532623497, c = 5.775224926683577, total energy = -11.427288981241075

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.093863238042036 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 83
         Function evaluations: 167
Results for this minimization:
  a = 2.2336990569159845, c = 5.775224907766553, total energy = -11.427288981241075

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.288809106520228 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.233699060463076, c = 5.775224937513308, total energy = -11.427288981241073

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.48375497499842 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 76
         Function evaluations: 164
Results for this minimization:
  a = 2.2336990503365826, c = 5.775224947390784, total energy = -11.427288981241071

Attempting to perform relaxation using initial lattice constant guess of a = [2.38758953] Angstroms and c = 4.678700843476612 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.427289
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.2336990548595637, c = 5.775224942346319, total energy = -11.427288981241077

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.7536800066531413 Angstroms, c = 2.451692775278717 Angstroms, c/a = 0.890333

 Total energy: -16.639648874429227 eV

 Cohesive energy: -4.159912218607307 eV/atom

==============================================================================
==============================================================================