Element = Lattice = Model = Element: H
Lattice: hcp
Model: MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_001
Computed model cutoff of 4.699999943301109 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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.3506303445436103, total energy = -0.16292420655802942

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 = 2.3506303315982215, total energy = -0.16292420655802933

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: 79
Results for this minimization:
  a = 2.3506303429603577, total energy = -0.16292420655802975

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.3506303410278675, total energy = -0.16292420655802925

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: 75
Results for this minimization:
  a = 2.3506303310394308, total energy = -0.16292420655802953

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3506303347647206, total energy = -0.16292420655803003

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.350630337372422, total energy = -0.1629242065580292

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.3506303222384304, total energy = -0.1629242065580292

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: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.3506303310394303, total energy = -0.1629242065580294

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.3506303343689074, total energy = -0.16292420655802942

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: 69
Results for this minimization:
  a = 2.3506303399801256, total energy = -0.16292420655802958

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: 71
Results for this minimization:
  a = 2.350630337465555, total energy = -0.1629242065580297

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: 73
Results for this minimization:
  a = 2.350630342727527, total energy = -0.1629242065580296

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.3506303086876867, total energy = -0.16292420655802892

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: 70
Results for this minimization:
  a = 2.350630340259522, total energy = -0.16292420655802947

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.350630330771673, total energy = -0.16292420655802936

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 = 2.350630347803234, total energy = -0.16292420655802892

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: 73
Results for this minimization:
  a = 2.350630322471261, total energy = -0.16292420655802925

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.3506303353700764, total energy = -0.16292420655802942

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 = 2.3506303299218407, total energy = -0.16292420655802953

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.350630334764718, total energy = -0.16292420655802936

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 = 2.3506303294445354, total energy = -0.16292420655802972

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: 80
Results for this minimization:
  a = 2.3506303410977125, total energy = -0.16292420655802925

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: 78
Results for this minimization:
  a = 2.3506303343805444, total energy = -0.16292420655802953

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 = 2.3506303429603577, total energy = -0.1629242065580294

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.350630335649477, total energy = -0.1629242065580294

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.3506303315982193, total energy = -0.1629242065580291

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 = 2.350630334112793, total energy = -0.16292420655802975

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 = 2.350630333693693, total energy = -0.16292420655802922

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3506303401198223, total energy = -0.16292420655802958

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 = 2.350630328617992, total energy = -0.16292420655802964

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 3.070850610176625 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 82
         Function evaluations: 172
Results for this minimization:
  a = 2.666901256333588, c = 2.177515583029084, total energy = -0.5142166459565933

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 3.262778773312664 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 74
         Function evaluations: 166
Results for this minimization:
  a = 2.6669011477388667, c = 2.177515741904136, total energy = -0.514216645956594

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 3.4547069364487033 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.514217
         Iterations: 84
         Function evaluations: 177
Results for this minimization:
  a = 2.666901124855555, c = 2.1775158101442558, total energy = -0.514216645956594

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 3.6466350995847425 = ([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 = 4.75 Angstroms
     Exception message:
Attempted to evaluate energy at a = 2.997053676825013 Angstroms and c = 0.36466350995847563 Angstroms; the model cutoff was estimated to be 4.699999943301109 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 = [2.35063033] Angstroms and c = 3.8385632627207817 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 109
         Function evaluations: 239
Results for this minimization:
  a = 1.8903507090649576, c = 9.233344130839034, total energy = -0.49554715135630484

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 4.030491425856821 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 108
         Function evaluations: 237
Results for this minimization:
  a = 1.890350706123205, c = 9.365841342256836, total energy = -0.4955471513563051

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 4.22241958899286 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 104
         Function evaluations: 231
Results for this minimization:
  a = 1.8903507165690936, c = 9.251994457296133, total energy = -0.4955471513563049

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 4.414347752128899 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 102
         Function evaluations: 231
Results for this minimization:
  a = 1.8903507142867355, c = 9.545893022777198, total energy = -0.49554715135630456

Attempting to perform relaxation using initial lattice constant guess of a = [2.35063033] Angstroms and c = 4.606275915264939 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.495547
         Iterations: 100
         Function evaluations: 226
Results for this minimization:
  a = 1.890350701536832, c = 9.630397150967354, total energy = -0.49554715135630445

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

 Final lattice Constants:
   a = 2.6669011477388667 Angstroms, c = 2.177515741904136 Angstroms, c/a = 0.816497

 Total energy: -0.514216645956594 eV

 Cohesive energy: -0.1285541614891485 eV/atom

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