Element = Lattice = Model = Element: Li
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.12280000388624 Angstroms
Computed isolated atomic energy of 0.0 eV for species Li

==============================================================================
==============================================================================
 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: -34.963394
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.4897774666547807, total energy = -34.963393966589656

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: -34.963394
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4897774796932937, total energy = -34.963393966589564

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: -34.963394
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4897774746641517, total energy = -34.96339396658974

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: -34.963394
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4897774505429013, total energy = -34.96339396658956

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: -34.963394
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.489777460554617, total energy = -34.96339396658959

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: -34.963394
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.489777466654778, total energy = -34.96339396658968

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: -34.963394
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4897774663288157, total energy = -34.96339396658969

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: -34.963394
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4897774886339903, total energy = -34.96339396658966

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: -34.963394
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.489777460694315, total energy = -34.963393966589486

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: -34.963394
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4897774625802427, total energy = -34.96339396658958

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: -34.963394
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4897774826269607, total energy = -34.96339396658958

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: -34.963394
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.489777478948236, total energy = -34.963393966589614

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: -34.963394
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.4897774886339903, total energy = -34.96339396658966

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: -34.963394
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4897774749260857, total energy = -34.963393966589585

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: -34.963394
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4897774612996724, total energy = -34.963393966589585

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: -34.963394
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.489777476014568, total energy = -34.96339396658963

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: -34.963394
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.489777500927447, total energy = -34.963393966589436

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: -34.963394
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.489777486771345, total energy = -34.9633939665896

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: -34.963394
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4897774666547763, total energy = -34.963393966589635

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: -34.963394
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.489777482417411, total energy = -34.96339396658951

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: -34.963394
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4897774666547776, total energy = -34.96339396658968

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: -34.963394
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.489777479018082, total energy = -34.9633939665896

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: -34.963394
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.489777462091297, total energy = -34.963393966589564

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: -34.963394
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4897774666547736, total energy = -34.963393966589635

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: -34.963394
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4897774770855894, total energy = -34.96339396658955

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: -34.963394
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4897774925455467, total energy = -34.96339396658937

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: -34.963394
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.489777460799085, total energy = -34.96339396658946

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: -34.963394
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4897774616838433, total energy = -34.96339396658958

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: -34.963394
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.489777479693289, total energy = -34.96339396658951

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: -34.963394
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.489777483139185, total energy = -34.963393966589614

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: -34.963394
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4897774789482376, total energy = -34.96339396658954

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: -34.963394
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.489777454547581, total energy = -34.963393966589585

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: -34.963394
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4897774746641517, total energy = -34.96339396658969

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: -34.963394
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.4897774689481533, total energy = -34.9633939665897

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: -34.963394
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.489777474803848, total energy = -34.96339396658958

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: -34.963394
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.489777465531372, total energy = -34.96339396658956

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: -34.963394
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.489777462580237, total energy = -34.963393966589614

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: -34.963394
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4897774746641517, total energy = -34.96339396658968

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: -34.963394
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.489777475880685, total energy = -34.963393966589614

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: -34.963394
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4897774666547754, total energy = -34.963393966589656

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: -34.963394
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.489777462091289, total energy = -34.96339396658949

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: -34.963394
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.489777464698996, total energy = -34.963393966589564

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: -34.963394
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.489777486771345, total energy = -34.96339396658957

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: -34.963394
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.489777453674468, total energy = -34.96339396658949

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: -34.963394
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.48977746665477, total energy = -34.96339396658965

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: -34.963394
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4897774761309766, total energy = -34.96339396658955

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: -34.963394
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.489777483203211, total energy = -34.96339396658954

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: -34.963394
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.4897774520795792, total energy = -34.963393966589464

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: -34.963394
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.489777466654776, total energy = -34.96339396658966

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: -34.963394
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.4897774851415235, total energy = -34.963393966589486

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: -34.963394
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.489777479018075, total energy = -34.963393966589614

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: -34.963394
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.489777461125045, total energy = -34.9633939665895

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 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 = 7.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.75 Angstroms and c = -1.224744871391589 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 7.625 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 = 7.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7624999999999922 Angstroms and c = -1.2451572859147695 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 7.75 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 = 7.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7750000000000234 Angstroms and c = -1.2655697004380135 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 7.875 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 = 7.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7875000000000156 Angstroms and c = -1.285982114961194 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.0 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 = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.125 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 = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.25 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 = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.375 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 = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.5 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 = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.625 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 = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.75 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 = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 8.875 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 = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 9.0 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 = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = 9.125 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 = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 9.12280000388624 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 = [2.48977747] Angstroms and c = 3.252631672534637 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.4897609201281243, c = 4.0658436516738305, total energy = -34.96339402681976

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 3.4559211520680515 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.4897609284935664, c = 4.06584366909901, total energy = -34.96339402681978

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 3.659210631601466 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 76
         Function evaluations: 163
Results for this minimization:
  a = 2.4897609323950247, c = 4.065843646635117, total energy = -34.96339402681983

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 3.8625001111348807 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 2.4897609246567844, c = 4.06584367005417, total energy = -34.963394026819756

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 4.065789590668295 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 2.489760917233804, c = 4.0658436541321805, total energy = -34.96339402681979

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 4.26907907020171 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 2.489760917165302, c = 4.065843655737832, total energy = -34.96339402681985

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 4.472368549735124 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.4897609150762783, c = 4.065843617052373, total energy = -34.96339402681981

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 4.675658029268539 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.489760917603177, c = 4.065843617346209, total energy = -34.96339402681984

Attempting to perform relaxation using initial lattice constant guess of a = [2.48977747] Angstroms and c = 4.878947508801954 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -34.963394
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 2.489760914634507, c = 4.065843651369301, total energy = -34.96339402681989

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

 Final lattice Constants:
   a = 2.489760914634507 Angstroms, c = 4.065843651369301 Angstroms, c/a = 1.633026

 Total energy: -34.96339402681989 eV

 Cohesive energy: -8.740848506704973 eV/atom

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