Element = Lattice = Model = Element: U
Lattice: hcp
Model: MEAM_LAMMPS_FernandezPascuet_2014_U__MO_399431830125_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species U

==============================================================================
==============================================================================
 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: -21.113541
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.172801933996384, total energy = -21.113540836736465

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: -21.113541
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.172801948338747, total energy = -21.113540836736465

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: -21.113541
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.172801945358515, total energy = -21.11354083673647

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: -21.113541
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1728019464761092, total energy = -21.113540836736462

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: -21.113541
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1728019461035766, total energy = -21.11354083673647

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: -21.113541
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1728019350208356, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.172801936790348, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.172801945824176, total energy = -21.113540836736462

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: -21.113541
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.1728019468486353, total energy = -21.11354083673647

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: -21.113541
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.1728019516915094, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.172801934927703, total energy = -21.113540836736462

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: -21.113541
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.172801945358513, total energy = -21.113540836736465

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: -21.113541
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.172801934182644, total energy = -21.113540836736473

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: -21.113541
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.172801934997554, total energy = -21.113540836736462

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: -21.113541
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.172801934182645, total energy = -21.113540836736462

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: -21.113541
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.172801944985986, total energy = -21.113540836736465

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: -21.113541
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.172801923612133, total energy = -21.113540836736462

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: -21.113541
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.1728019373258576, total energy = -21.11354083673647

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: -21.113541
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.172801948338747, total energy = -21.113540836736465

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: -21.113541
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.1728019466623656, total energy = -21.113540836736465

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: -21.113541
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.172801934182644, total energy = -21.113540836736462

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: -21.113541
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1728019510395815, total energy = -21.113540836736462

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: -21.113541
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.172801946871914, total energy = -21.113540836736465

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: -21.113541
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1728019503876546, total energy = -21.113540836736462

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: -21.113541
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1728019504807885, total energy = -21.11354083673647

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: -21.113541
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.172801950958093, total energy = -21.113540836736462

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: -21.113541
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.1728019452595593, total energy = -21.113540836736465

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: -21.113541
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.172801934182644, total energy = -21.11354083673647

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: -21.113541
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1728019449859826, total energy = -21.113540836736476

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: -21.113541
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1728019362315525, total energy = -21.113540836736462

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.113541
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1728019453585157, total energy = -21.113540836736473

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.113541
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1728019442525666, total energy = -21.113540836736465

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.113541
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.172801945358515, total energy = -21.11354083673647

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -21.113541
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1728019366040785, total energy = -21.11354083673646

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.14493110406703 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 78
         Function evaluations: 166
Results for this minimization:
  a = 2.990303405046153, c = 5.7295859726402565, total energy = -21.16710264713492

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.403989298071219 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 83
         Function evaluations: 173
Results for this minimization:
  a = 2.990303421494483, c = 5.7295858602495136, total energy = -21.16710264713493

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.663047492075409 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.990303394458784, c = 5.72958597114051, total energy = -21.167102647134925

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 4.922105686079598 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.990303399846436, c = 5.729585859400304, total energy = -21.167102647134918

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.181163880083787 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 62
         Function evaluations: 137
Results for this minimization:
  a = 2.9903034136842415, c = 5.729585893248924, total energy = -21.16710264713492

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.440222074087976 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.9903033703811595, c = 5.729585911175084, total energy = -21.167102647134914

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.699280268092165 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.9903033849275302, c = 5.729585968819993, total energy = -21.167102647134932

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 5.958338462096354 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 73
         Function evaluations: 160
Results for this minimization:
  a = 2.990303409139119, c = 5.729585793266723, total energy = -21.167102647134918

Attempting to perform relaxation using initial lattice constant guess of a = [3.17280194] Angstroms and c = 6.217396656100544 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -21.167103
         Iterations: 81
         Function evaluations: 172
Results for this minimization:
  a = 2.990303409064769, c = 5.729585984412976, total energy = -21.167102647134918

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

 Final lattice Constants:
   a = 2.9903033849275302 Angstroms, c = 5.729585968819993 Angstroms, c/a = 1.916055

 Total energy: -21.167102647134932 eV

 Cohesive energy: -5.291775661783733 eV/atom

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