Element = Lattice = Model = Element: H
Lattice: hcp
Model: MEAM_LAMMPS_ShimLeeFleury_2011_VH__MO_072444764353_000
Computed model cutoff of 3.999999990463257 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: 79
Results for this minimization:
  a = 2.3506303787231486, total energy = -0.16292420643536565

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: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.350630408711731, total energy = -0.16292420643536676

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.350630410015583, total energy = -0.1629242064353671

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: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.350630429387097, total energy = -0.16292420643536595

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: 78
Results for this minimization:
  a = 2.350630438327791, total energy = -0.1629242064353652

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.350630402565003, total energy = -0.16292420643536626

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: 77
Results for this minimization:
  a = 2.35063041022513, total energy = -0.1629242064353664

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: 73
Results for this minimization:
  a = 2.350630419328809, total energy = -0.1629242064353661

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 = 2.3506303884089013, total energy = -0.16292420643536634

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 = 2.350630399677902, total energy = -0.16292420643536662

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: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.350630418665242, total energy = -0.1629242064353662

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: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.3506304100155826, total energy = -0.16292420643536643

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.350630410015583, total energy = -0.16292420643536656

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: 72
Results for this minimization:
  a = 2.3506303947418927, total energy = -0.16292420643536623

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.350630396604538, total energy = -0.1629242064353666

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 = 2.350630411366, total energy = -0.16292420643536648

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: 74
Results for this minimization:
  a = 2.3506304025650007, total energy = -0.1629242064353666

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 = 2.3506304062902927, total energy = -0.16292420643536615

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 = 2.3506304049864393, total energy = -0.1629242064353665

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3506303899572223, total energy = -0.16292420643536604

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3506304110400364, total energy = -0.1629242064353666

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3506304094567865, total energy = -0.16292420643536673

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: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.350630399072543, total energy = -0.16292420643536631

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.3506304033100562, total energy = -0.16292420643536643

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.3506303906440733, total energy = -0.1629242064353666

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 3.07085070848394 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 82
         Function evaluations: 171
Results for this minimization:
  a = 2.6669012939524093, c = 2.177515542114796, total energy = -0.5142166459681089

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 3.262778877764186 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.6669011094762727, c = 2.177515809184623, total energy = -0.5142166459681097

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 3.4547070470444323 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 85
         Function evaluations: 181
Results for this minimization:
  a = 2.666901276953894, c = 2.1775155566805715, total energy = -0.51421664596811

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 3.6466352163246785 = ([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 = 4.0 Angstroms
     Exception message:
Attempted to evaluate energy at a = 2.997053772769874 Angstroms and c = 0.3646635216324601 Angstroms; the model cutoff was estimated to be 3.999999990463257 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 3.8385633856049246 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 110
         Function evaluations: 237
Results for this minimization:
  a = 1.8903506942186385, c = 8.462365274312743, total energy = -0.4955471513711179

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 4.03049155488517 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 105
         Function evaluations: 233
Results for this minimization:
  a = 1.8903507140042697, c = 8.001494919541909, total energy = -0.49554715137112015

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 4.222419724165417 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 101
         Function evaluations: 235
Results for this minimization:
  a = 1.8903507190301545, c = 8.259259735558212, total energy = -0.49554715137111904

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 4.4143478934456635 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 100
         Function evaluations: 229
Results for this minimization:
  a = 1.890350718067423, c = 9.03837403642076, total energy = -0.495547151371119

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063041] Angstroms and c = 4.606276062725909 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 102
         Function evaluations: 232
Results for this minimization:
  a = 1.8903507057395514, c = 8.143119062766935, total energy = -0.49554715137111927

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

 Final lattice Constants:
   a = 2.666901276953894 Angstroms, c = 2.1775155566805715 Angstroms, c/a = 0.816496

 Total energy: -0.51421664596811 eV

 Cohesive energy: -0.1285541614920275 eV/atom

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