Element = Lattice = Model = Element: C
Lattice: hcp
Model: MEAM_LAMMPS_KangEunJun_2014_SiC__MO_477506997611_000
Computed model cutoff of 3.999999990463257 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: -20.165021
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.0732393128797435, total energy = -20.165020531660506

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: -20.165021
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.0732393145561216, total energy = -20.165020531660506

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: -20.165021
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.0732393187936395, total energy = -20.16502053166051

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: -20.165021
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.0732393026351956, total energy = -20.165020531660492

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: -20.165021
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.0732393146958215, total energy = -20.16502053166051

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: -20.165021
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.0732393263373536, total energy = -20.165020531660513

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: -20.165021
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.073239312227816, total energy = -20.1650205316605

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: -20.165021
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.0732393141370267, total energy = -20.165020531660502

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: -20.165021
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.073239308595657, total energy = -20.165020531660495

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: -20.165021
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 2.073239313624799, total energy = -20.165020531660513

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: -20.165021
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.0732393144513477, total energy = -20.16502053166051

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: -20.165021
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.0732393156271423, total energy = -20.1650205316605

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: -20.165021
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.07323931530118, total energy = -20.165020531660502

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: -20.165021
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.0732393128797417, total energy = -20.165020531660506

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: -20.165021
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.073239321075379, total energy = -20.165020531660502

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: -20.165021
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.0732393081707405, total energy = -20.165020531660506

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: -20.165021
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.0732393167912937, total energy = -20.16502053166051

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: -20.165021
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.0732393155049067, total energy = -20.165020531660506

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: -20.165021
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.0732393160462355, total energy = -20.165020531660506

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: -20.165021
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.073239311622454, total energy = -20.165020531660502

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: -20.165021
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.0732393219252114, total energy = -20.165020531660502

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: -20.165021
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.0732393095269774, total energy = -20.165020531660502

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: -20.165021
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.073239312390797, total energy = -20.165020531660506

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: -20.165021
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.073239319631824, total energy = -20.165020531660506

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: -20.165021
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.073239316791294, total energy = -20.165020531660506

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 2.7084685142389624 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.790805
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.423783414503628, c = 2.1689419313295133, total energy = -24.79080453213607

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 2.8777477963788973 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.790805
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.4237834141293026, c = 2.168941912174592, total energy = -24.79080453213607

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 3.0470270785188323 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.790805
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.423783414053785, c = 2.168941924311904, total energy = -24.790804532136075

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 3.216306360658767 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.790805
         Iterations: 79
         Function evaluations: 162
Results for this minimization:
  a = 2.423783403243794, c = 2.1689419195209156, total energy = -24.790804532136068

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 3.385585642798702 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.861702
         Iterations: 78
         Function evaluations: 166
Results for this minimization:
  a = 1.8732907627815485, c = 4.675810531032686, total energy = -20.861701841867088

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 3.554864924938637 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.861702
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 1.8732907652260278, c = 4.675810583348785, total energy = -20.86170184186708

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 3.724144207078572 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.861702
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 1.8732907657062254, c = 4.675810569824262, total energy = -20.86170184186708

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 3.893423489218507 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.861702
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 1.873290758560947, c = 4.675810572252007, total energy = -20.861701841867077

Attempting to perform relaxation using initial lattice constant guess of a = [2.07323933] Angstroms and c = 4.062702771358442 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.861702
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 1.87329076388126, c = 4.67581055862701, total energy = -20.86170184186708

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

 Final lattice Constants:
   a = 2.423783414053785 Angstroms, c = 2.168941924311904 Angstroms, c/a = 0.894858

 Total energy: -24.790804532136075 eV

 Cohesive energy: -6.197701133034019 eV/atom

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