Element = Lattice = Model = Element: Mo
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.975899992361688 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mo

==============================================================================
==============================================================================
 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 10.975899992361688 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))

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.995516602694987, total energy = -149.0543566589069

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: -149.054357
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9955165963619947, total energy = -149.0543566589067

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: -149.054357
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.995516599714762, total energy = -149.05435665890707

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: -149.054357
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.995516594033692, total energy = -149.05435665890732

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: -149.054357
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.9955165810184576, total energy = -149.05435665890673

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: -149.054357
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9955165906809276, total energy = -149.05435665890687

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: -149.054357
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.995516598399263, total energy = -149.0543566589071

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: -149.054357
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.995516585931184, total energy = -149.05435665890747

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: -149.054357
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9955165937542922, total energy = -149.05435665890695

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: -149.054357
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9955166043713684, total energy = -149.0543566589067

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: -149.054357
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9955166005704075, total energy = -149.0543566589072

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: -149.054357
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.99551660194993, total energy = -149.0543566589066

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: -149.054357
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9955166004598146, total energy = -149.05435665890698

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: -149.054357
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.995516599714756, total energy = -149.05435665890687

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: -149.054357
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9955166079103948, total energy = -149.05435665890644

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: -149.054357
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.995516594871879, total energy = -149.0543566589071

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: -149.054357
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.99551660194993, total energy = -149.05435665890658

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: -149.054357
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.995516600692645, total energy = -149.05435665890678

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: -149.054357
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.995516602852148, total energy = -149.05435665890673

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: -149.054357
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9955165906809276, total energy = -149.05435665890687

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: -149.054357
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.995516599249094, total energy = -149.05435665890678

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: -149.054357
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.995516598399263, total energy = -149.05435665890712

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: -149.054357
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9955166140513, total energy = -149.05435665890658

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: -149.054357
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9955165859311803, total energy = -149.05435665890744

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: -149.054357
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9955165607854726, total energy = -149.05435665890656

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: -149.054357
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9955165937542887, total energy = -149.05435665890715

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: -149.054357
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.995516590293846, total energy = -149.05435665890687

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: -149.054357
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9955166041618173, total energy = -149.05435665890707

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: -149.054357
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.99551660506986, total energy = -149.05435665890673

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: -149.054357
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.995516586303712, total energy = -149.0543566589069

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: -149.054357
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9955165837047355, total energy = -149.0543566589067

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: -149.054357
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9955165963619947, total energy = -149.05435665890653

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: -149.054357
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9955165957449896, total energy = -149.05435665890727

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: -149.054357
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.995516600459813, total energy = -149.0543566589069

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: -149.054357
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9955165869672804, total energy = -149.05435665890684

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: -149.054357
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9955165997147524, total energy = -149.05435665890695

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: -149.054357
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9955165837309323, total energy = -149.0543566589066

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: -149.054357
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9955165736377185, total energy = -149.05435665890676

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: -149.054357
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.99551660242141, total energy = -149.05435665890693

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: -149.054357
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9955166082829163, total energy = -149.05435665890693

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: -149.054357
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9955165927793095, total energy = -149.0543566589066

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: -149.054357
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.99551660194993, total energy = -149.05435665890653

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: -149.054357
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.99551659375429, total energy = -149.05435665890704

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: -149.054357
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9955166006926395, total energy = -149.0543566589067

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: -149.054357
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.995516617782406, total energy = -149.05435665890673

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: -149.054357
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9955166028521445, total energy = -149.05435665890667

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: -149.054357
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.995516593568027, total energy = -149.054356658907

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: -149.054357
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9955165893770737, total energy = -149.05435665890656

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: -149.054357
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9955166007915914, total energy = -149.05435665890693

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: -149.054357
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9955165992490866, total energy = -149.05435665890695

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: -149.054357
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9955165951905602, total energy = -149.05435665890715

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: -149.054357
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.995516598399263, total energy = -149.05435665890693

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: -149.054357
         Iterations: 40
         Function evaluations: 81
Results for this minimization:
  a = 2.995516586536545, total energy = -149.0543566589072

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: -149.054357
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9955165619030453, total energy = -149.05435665890664

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: -149.054357
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.995516604371361, total energy = -149.05435665890687

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: -149.054357
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9955165859311768, total energy = -149.05435665890758

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: -149.054357
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9955165940336883, total energy = -149.0543566589071

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: -149.054357
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.995516560785476, total energy = -149.05435665890667

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: -149.054357
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.995516574438066, total energy = -149.05435665890678

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: -149.054357
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9955165937542816, total energy = -149.05435665890738

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: -149.054357
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.995516575244251, total energy = -149.05435665890727

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: -149.054357
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.9955165804130957, total energy = -149.0543566589067

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: -149.054357
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 2.9955165517516478, total energy = -149.0543566589061

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 10.975899992361688 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 10.975899992361688 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 = 9.25 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 = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 9.375 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 = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 9.5 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 = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 9.625 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 = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 9.75 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 = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 9.875 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 = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.0 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 = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.125 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 = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.25 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 = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.375 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 = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.5 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 = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.625 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 = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.75 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 = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 10.875 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 = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = 11.0 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 = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 10.975899992361688 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 = [2.99551659] Angstroms and c = 3.913326480840161 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.9954966485712733, c = 4.891723138905716, total energy = -149.0543569156776

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 4.157909385892671 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.9954966815188406, c = 4.891723130014236, total energy = -149.0543569156776

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 4.4024922909451805 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.995496648935567, c = 4.891723218177243, total energy = -149.0543569156775

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 4.64707519599769 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 66
         Function evaluations: 139
Results for this minimization:
  a = 2.995496681645393, c = 4.891723194103859, total energy = -149.05435691567786

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 4.8916581010502 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.995496682819653, c = 4.891723099977879, total energy = -149.05435691567774

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 5.1362410061027095 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 2.995496683247059, c = 4.891723090503966, total energy = -149.05435691567746

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 5.380823911155219 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.9954966870904363, c = 4.891723101380667, total energy = -149.0543569156772

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 5.625406816207729 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 73
         Function evaluations: 149
Results for this minimization:
  a = 2.9954966645104104, c = 4.891723092290615, total energy = -149.05435691567743

Attempting to perform relaxation using initial lattice constant guess of a = [2.99551659] Angstroms and c = 5.8699897212602385 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -149.054357
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.9954966808625976, c = 4.891723174033783, total energy = -149.05435691567783

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

 Final lattice Constants:
   a = 2.995496681645393 Angstroms, c = 4.891723194103859 Angstroms, c/a = 1.633026

 Total energy: -149.05435691567786 eV

 Cohesive energy: -37.263589228919464 eV/atom

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