Element = Lattice = Model = Element: V
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.904600007087014 Angstroms
Computed isolated atomic energy of 0.0 eV for species V

==============================================================================
==============================================================================
 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 10.904600007087014 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: -91.680775
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.976062996685505, total energy = -91.68077457068098

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: -91.680775
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.976062972098589, total energy = -91.68077457068092

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: -91.680775
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9760629953816613, total energy = -91.68077457068111

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: -91.680775
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 2.9760630096774596, total energy = -91.68077457068077

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: -91.680775
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.976062992261725, total energy = -91.68077457068091

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: -91.680775
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.976063024997712, total energy = -91.68077457068054

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: -91.680775
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.976062972098589, total energy = -91.68077457068095

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: -91.680775
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9760629879310754, total energy = -91.68077457068107

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: -91.680775
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9760629897937187, total energy = -91.68077457068127

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: -91.680775
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.976062996685506, total energy = -91.68077457068105

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: -91.680775
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9760630092583584, total energy = -91.68077457068104

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: -91.680775
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.976062972098589, total energy = -91.68077457068098

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: -91.680775
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9760629881639042, total energy = -91.68077457068124

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: -91.680775
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9760629871860154, total energy = -91.680774570681

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: -91.680775
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.976063007302583, total energy = -91.6807745706809

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: -91.680775
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.976063009677456, total energy = -91.68077457068081

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: -91.680775
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.976062968518818, total energy = -91.68077457068114

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: -91.680775
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9760629889322443, total energy = -91.6807745706809

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: -91.680775
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.97606298411265, total energy = -91.68077457068136

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: -91.680775
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.976063024997711, total energy = -91.68077457068057

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: -91.680775
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9760629601078095, total energy = -91.68077457068107

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: -91.680775
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9760630052769557, total energy = -91.68077457068121

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: -91.680775
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9760629935190055, total energy = -91.68077457068117

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: -91.680775
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.976062989793716, total energy = -91.68077457068131

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: -91.680775
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9760629687458273, total energy = -91.68077457068081

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: -91.680775
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9760629802942256, total energy = -91.680774570681

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: -91.680775
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.976063010675716, total energy = -91.68077457068114

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: -91.680775
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9760629966855023, total energy = -91.68077457068097

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: -91.680775
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9760629785712793, total energy = -91.68077457068108

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: -91.680775
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9760630092583606, total energy = -91.68077457068112

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: -91.680775
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.976062981384163, total energy = -91.68077457068111

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: -91.680775
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.976062972098589, total energy = -91.680774570681

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: -91.680775
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9760630066244587, total energy = -91.68077457068104

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: -91.680775
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9760629881639025, total energy = -91.68077457068118

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: -91.680775
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.976062985043974, total energy = -91.68077457068122

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: -91.680775
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9760629892349213, total energy = -91.68077457068094

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: -91.680775
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.976062991132494, total energy = -91.68077457068104

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: -91.680775
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9760630073025776, total energy = -91.68077457068107

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: -91.680775
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.976063002459703, total energy = -91.68077457068087

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: -91.680775
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9760629866272144, total energy = -91.68077457068092

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: -91.680775
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9760629881639007, total energy = -91.68077457068114

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: -91.680775
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.976062968518818, total energy = -91.68077457068117

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: -91.680775
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9760629869240782, total energy = -91.68077457068125

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: -91.680775
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9760629892349186, total energy = -91.68077457068105

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: -91.680775
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.976062965882003, total energy = -91.68077457068091

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: -91.680775
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9760630092583558, total energy = -91.68077457068108

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: -91.680775
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9760629953816533, total energy = -91.680774570681

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: -91.680775
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.976063024997709, total energy = -91.68077457068044

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: -91.680775
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9760629720985823, total energy = -91.68077457068091

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: -91.680775
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.976062960107802, total energy = -91.68077457068097

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: -91.680775
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.9760629793396176, total energy = -91.68077457068135

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: -91.680775
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9760630052769557, total energy = -91.68077457068117

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: -91.680775
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.976062977052065, total energy = -91.68077457068078

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: -91.680775
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.976062999293195, total energy = -91.68077457068131

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: -91.680775
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9760630052769463, total energy = -91.68077457068105

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: -91.680775
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.976062989607448, total energy = -91.68077457068132

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: -91.680775
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9760629814409185, total energy = -91.68077457068105

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: -91.680775
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9760629841126534, total energy = -91.68077457068122

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: -91.680775
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.976062999904376, total energy = -91.68077457068088

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: -91.680775
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.976062989793708, total energy = -91.68077457068115

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: -91.680775
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.976063007302579, total energy = -91.68077457068105

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: -91.680775
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.976063010675716, total energy = -91.68077457068104

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: -91.680775
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.9760630036937123, total energy = -91.6807745706809

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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 10.904600007087014 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 = [2.97606298] Angstroms and c = 3.8879124018456706 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.9760432072273266, c = 4.859955131563828, total energy = -91.68077472861656

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 4.130906926961025 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 75
         Function evaluations: 163
Results for this minimization:
  a = 2.976043183979007, c = 4.859955179391255, total energy = -91.6807747286164

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 4.373901452076379 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.9760431952368047, c = 4.859955193921461, total energy = -91.68077472861637

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 4.616895977191733 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.976043217389315, c = 4.8599551449341405, total energy = -91.68077472861641

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 4.8598905023070875 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 2.9760432099977674, c = 4.859955076255973, total energy = -91.6807747286163

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 5.102885027422442 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.9760432131326713, c = 4.859955164069941, total energy = -91.68077472861657

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 5.345879552537796 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 2.9760431986688305, c = 4.859955142139176, total energy = -91.68077472861647

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 5.58887407765315 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 75
         Function evaluations: 165
Results for this minimization:
  a = 2.9760431868858928, c = 4.859955153403771, total energy = -91.68077472861647

Attempting to perform relaxation using initial lattice constant guess of a = [2.97606298] Angstroms and c = 5.8318686027685045 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -91.680775
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.9760432148048954, c = 4.859955153696233, total energy = -91.68077472861634

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

 Final lattice Constants:
   a = 2.9760432131326713 Angstroms, c = 4.859955164069941 Angstroms, c/a = 1.633026

 Total energy: -91.68077472861657 eV

 Cohesive energy: -22.920193682154142 eV/atom

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