Element = Lattice = Model = Element: H
Lattice: hcp
Model: MEAM_LAMMPS_ShimKoKim_2013_AlVH__MO_344724145339_002
Computed model cutoff of 4.99999990001323 Angstroms
Computed isolated atomic energy of 0.0 eV for species H

==============================================================================
==============================================================================
 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: -0.162924
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.350630414485935, total energy = -0.16292420663773607

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.350630417093634, total energy = -0.16292420663773652

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: -0.162924
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.350630412460305, total energy = -0.1629242066377362

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.35063039666857, total energy = -0.16292420663773619

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: -0.162924
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3506304137408747, total energy = -0.1629242066377364

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: -0.162924
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.350630421936513, total energy = -0.16292420663773627

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: -0.162924
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.35063039669767, total energy = -0.1629242066377361

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: -0.162924
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.3506304245674983, total energy = -0.16292420663773577

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: -0.162924
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.3506304167211063, total energy = -0.16292420663773624

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: -0.162924
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.3506304107606413, total energy = -0.16292420663773582

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: -0.162924
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.3506304137408733, total energy = -0.162924206637736

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: -0.162924
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.350630417093634, total energy = -0.1629242066377368

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: -0.162924
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.350630406057462, total energy = -0.16292420663773607

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: -0.162924
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.3506304025650024, total energy = -0.16292420663773607

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: -0.162924
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.350630410690792, total energy = -0.1629242066377358

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: -0.162924
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3506304210051887, total energy = -0.16292420663773613

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: -0.162924
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.350630420516243, total energy = -0.16292420663773657

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: -0.162924
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.350630396977067, total energy = -0.16292420663773605

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: -0.162924
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3506303976464533, total energy = -0.16292420663773646

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: -0.162924
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3506304055947105, total energy = -0.162924206637736

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: -0.162924
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.350630414299666, total energy = -0.16292420663773663

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: -0.162924
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.350630382448432, total energy = -0.16292420663773555

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: -0.162924
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.3506304249167442, total energy = -0.16292420663773602

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: -0.162924
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.350630426045969, total energy = -0.1629242066377356

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: -0.162924
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.35063042640686, total energy = -0.16292420663773574

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.350630404800178, total energy = -0.16292420663773596

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: -0.162924
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.3506303980946504, total energy = -0.16292420663773594

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: -0.162924
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.3506304188631475, total energy = -0.16292420663773605

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.3506303955102292, total energy = -0.162924206637736

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: -0.162924
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.350630414206533, total energy = -0.1629242066377361

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: -0.162924
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.350630395859481, total energy = -0.16292420663773577

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: -0.162924
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.3506304098293143, total energy = -0.16292420663773616

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: -0.162924
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.350630411878228, total energy = -0.16292420663773588

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.070850717730667 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.2627788875888335 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.454707057447 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.6466352273051665 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 3.838563397163333 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.0304915670215 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.222419736879666 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.414347906737833 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063042] Angstroms and c = 4.606276076595999 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.35063042] Angstroms, c = [3.8385634] Angstroms, c/a = 1.632993

 Total energy: -0.1629242066377368 eV

 Cohesive energy: -0.0407310516594342 eV/atom

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