Element = Lattice = Model = Element: Sm
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 14.111799996718807 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sm

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.0 Angstroms and c = 1.632993161855452 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.851376986503607, total energy = -17.357685114191987

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: -17.357685
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.8513769350247475, total energy = -17.3576851141921

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: -17.357685
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.8513769090175627, total energy = -17.357685114192208

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: -17.357685
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.851376882288605, total energy = -17.357685114192083

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: -17.357685
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8513769352808627, total energy = -17.357685114192172

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: -17.357685
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.851376932207496, total energy = -17.357685114192133

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: -17.357685
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.851376897096634, total energy = -17.35768511419209

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: -17.357685
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.851376922056076, total energy = -17.357685114192176

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: -17.357685
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.8513769321143627, total energy = -17.35768511419209

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: -17.357685
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.851376902946507, total energy = -17.35768511419214

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: -17.357685
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.851376908272509, total energy = -17.357685114192247

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: -17.357685
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.8513768904434977, total energy = -17.357685114192204

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: -17.357685
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.8513769865036034, total energy = -17.357685114191987

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: -17.357685
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.851376883831108, total energy = -17.35768511419212

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: -17.357685
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.8513769350247458, total energy = -17.357685114192087

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: -17.357685
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.8513769071549184, total energy = -17.357685114192165

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: -17.357685
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.8513769090175636, total energy = -17.35768511419221

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: -17.357685
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.8513768930162775, total energy = -17.357685114192133

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: -17.357685
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.851376882288605, total energy = -17.357685114192087

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: -17.357685
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.851376893551788, total energy = -17.35768511419214

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: -17.357685
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.8513769352808573, total energy = -17.357685114192154

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: -17.357685
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.851376908272505, total energy = -17.357685114192236

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: -17.357685
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.851376904500647, total energy = -17.357685114192197

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: -17.357685
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.851376937702298, total energy = -17.357685114192122

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: -17.357685
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.851376897201406, total energy = -17.35768511419211

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: -17.357685
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.851376879308372, total energy = -17.35768511419211

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: -17.357685
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.8513769363227777, total energy = -17.35768511419213

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: -17.357685
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.8513768814504132, total energy = -17.35768511419215

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: -17.357685
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.851376930018887, total energy = -17.357685114192144

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: -17.357685
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.851376950147094, total energy = -17.357685114192147

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.851376902946503, total energy = -17.35768511419214

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.851376898190939, total energy = -17.357685114192158

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.8513769082725027, total energy = -17.357685114192236

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.8513768669217825, total energy = -17.357685114192122

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.851376890443494, total energy = -17.357685114192194

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.851376893371342, total energy = -17.357685114192115

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.8513768971664786, total energy = -17.357685114192144

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.8513769371318602, total energy = -17.357685114192165

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.8513768859411357, total energy = -17.357685114192094

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.851376920679466, total energy = -17.35768511419222

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.8513769350247404, total energy = -17.357685114192083

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8513769276440084, total energy = -17.35768511419212

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.851376907154915, total energy = -17.357685114192158

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.8513769400306046, total energy = -17.35768511419214

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.851376909017561, total energy = -17.357685114192204

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.8513769360462855, total energy = -17.35768511419218

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8513768931850727, total energy = -17.357685114192158

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.8513769334182113, total energy = -17.357685114192147

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.851376882288605, total energy = -17.357685114192083

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.851376915443693, total energy = -17.35768511419214

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.851376893551777, total energy = -17.35768511419214

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.851376892250839, total energy = -17.357685114192105

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.851376935280854, total energy = -17.35768511419215

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.851376930484548, total energy = -17.35768511419216

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.8513769082725084, total energy = -17.357685114192233

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8513769260607544, total energy = -17.357685114192183

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.8513769045006403, total energy = -17.357685114192194

Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 3.8513768852724715, total energy = -17.357685114192094

Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.8513769376004348, total energy = -17.357685114192112

Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.8513769073179027, total energy = -17.357685114192183

Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.851376896677526, total energy = -17.357685114192158

Attempting to perform relaxation using initial lattice constant guess of a = 9.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.8513769370765574, total energy = -17.35768511419212

Attempting to perform relaxation using initial lattice constant guess of a = 9.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.851376891907417, total energy = -17.357685114192144

Attempting to perform relaxation using initial lattice constant guess of a = 9.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.851376897546288, total energy = -17.35768511419216

Attempting to perform relaxation using initial lattice constant guess of a = 9.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.85137690060074, total energy = -17.35768511419217

Attempting to perform relaxation using initial lattice constant guess of a = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.851376917492586, total energy = -17.357685114192158

Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.851376881450406, total energy = -17.357685114192154

Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.851376905315551, total energy = -17.357685114192186

Attempting to perform relaxation using initial lattice constant guess of a = 10.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.851376937702298, total energy = -17.35768511419211

Attempting to perform relaxation using initial lattice constant guess of a = 10.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.851376907154922, total energy = -17.357685114192137

Attempting to perform relaxation using initial lattice constant guess of a = 10.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.8513769516983167, total energy = -17.357685114192147

Attempting to perform relaxation using initial lattice constant guess of a = 10.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.851376906147917, total energy = -17.357685114192133

Attempting to perform relaxation using initial lattice constant guess of a = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.8513769008684866, total energy = -17.357685114192094

Attempting to perform relaxation using initial lattice constant guess of a = 10.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.8513768798366073, total energy = -17.357685114192062

Attempting to perform relaxation using initial lattice constant guess of a = 10.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.8513768936856696, total energy = -17.357685114192165

Attempting to perform relaxation using initial lattice constant guess of a = 10.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.851376893185065, total energy = -17.357685114192154

Attempting to perform relaxation using initial lattice constant guess of a = 11.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.8513769082724956, total energy = -17.357685114192215

Attempting to perform relaxation using initial lattice constant guess of a = 11.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.8513769011653447, total energy = -17.357685114192122

Attempting to perform relaxation using initial lattice constant guess of a = 11.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 3.851376866987266, total energy = -17.35768511419214

Attempting to perform relaxation using initial lattice constant guess of a = 11.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.851376895846629, total energy = -17.357685114192094

Attempting to perform relaxation using initial lattice constant guess of a = 11.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.851376885222256, total energy = -17.357685114192098

Attempting to perform relaxation using initial lattice constant guess of a = 11.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 11.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 11.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 12.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 13.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 14.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 14.111799996718807 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 = 14.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4125000000000156 Angstroms and c = -2.3066028411208515 Angstroms; the model cutoff was estimated to be 14.111799996718807 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...


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


Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 5.0314177239496 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.851351287553589, c = 6.289355809896331, total energy = -17.357685144093626

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 5.34588133169645 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.851351291588844, c = 6.289355877846536, total energy = -17.357685144093654

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 5.6603449394433 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.851351301504239, c = 6.289355775559496, total energy = -17.357685144093665

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 5.97480854719015 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 3.8513512950238473, c = 6.289355878657853, total energy = -17.35768514409367

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 6.2892721549370005 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 3.8513513246538285, c = 6.289355726792105, total energy = -17.357685144093658

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 6.603735762683851 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.851351311667163, c = 6.28935574063855, total energy = -17.35768514409367

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 6.918199370430701 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 3.851351302632148, c = 6.289355806972683, total energy = -17.357685144093647

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 7.232662978177551 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.8513512663602194, c = 6.289355867850887, total energy = -17.357685144093605

Attempting to perform relaxation using initial lattice constant guess of a = [3.85137691] Angstroms and c = 7.547126585924401 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357685
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 3.8513512912740966, c = 6.289355768323784, total energy = -17.35768514409365

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

 Final lattice Constants:
   a = 3.8513512950238473 Angstroms, c = 6.289355878657853 Angstroms, c/a = 1.633026

 Total energy: -17.35768514409367 eV

 Cohesive energy: -4.339421286023417 eV/atom

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