Element = Lattice = Model = Element: No
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 12.54389999523762 Angstroms
Computed isolated atomic energy of 0.0 eV for species No

==============================================================================
==============================================================================
 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 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.423441307863696, total energy = -3.9090345379885973

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: -3.909035
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.4234412994235797, total energy = -3.909034537988583

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: -3.909035
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4234412562102117, total energy = -3.9090345379885947

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: -3.909035
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.42344133593142, total energy = -3.9090345379885756

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: -3.909035
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.423441281542182, total energy = -3.909034537988607

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: -3.909035
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.4234413139522104, total energy = -3.909034537988586

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: -3.909035
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.4234413158148556, total energy = -3.9090345379886062

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: -3.909035
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4234412815421824, total energy = -3.909034537988609

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: -3.909035
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.4234412563033376, total energy = -3.90903453798858

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: -3.909035
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.4234412610530853, total energy = -3.909034537988587

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: -3.909035
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.423441318981351, total energy = -3.9090345379885956

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: -3.909035
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.4234413078636887, total energy = -3.909034537988601

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: -3.909035
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.423441302031278, total energy = -3.909034537988589

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: -3.909035
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.4234412840567536, total energy = -3.9090345379885876

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: -3.909035
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.423441295235534, total energy = -3.9090345379886102

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: -3.909035
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.423441256210209, total energy = -3.9090345379885925

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: -3.909035
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.423441273474599, total energy = -3.9090345379886076

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: -3.909035
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.42344133593142, total energy = -3.9090345379885734

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: -3.909035
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.4234412949183026, total energy = -3.9090345379886036

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: -3.909035
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.423441281542182, total energy = -3.9090345379886093

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: -3.909035
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.42344126740936, total energy = -3.9090345379885876

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: -3.909035
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.423441313952207, total energy = -3.9090345379885822

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: -3.909035
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.4234413031255846, total energy = -3.9090345379885876

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: -3.909035
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.423441315814852, total energy = -3.9090345379886084

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: -3.909035
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.423441292863572, total energy = -3.9090345379886084

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: -3.909035
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4234412815421793, total energy = -3.909034537988607

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: -3.909035
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.4234412752790364, total energy = -3.9090345379886013

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: -3.909035
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4234413093887284, total energy = -3.9090345379886124

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: -3.909035
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.423441324010489, total energy = -3.909034537988589

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: -3.909035
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4234412610530853, total energy = -3.9090345379885867

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: -3.909035
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4234413126017866, total energy = -3.909034537988601

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: -3.909035
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.4234413189813484, total energy = -3.909034537988593

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: -3.909035
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.423441278997052, total energy = -3.909034537988583

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: -3.909035
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.423441309144252, total energy = -3.9090345379885894

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: -3.909035
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.423441281542182, total energy = -3.9090345379886076

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: -3.909035
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4234413020312737, total energy = -3.9090345379885925

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: -3.909035
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.423441311530767, total energy = -3.9090345379886107

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: -3.909035
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.4234412839170485, total energy = -3.9090345379885982

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: -3.909035
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.42344128899276, total energy = -3.9090345379885925

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: -3.909035
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.423441295235534, total energy = -3.90903453798861

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: -3.909035
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4234413183876296, total energy = -3.9090345379885933

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: -3.909035
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4234412562102037, total energy = -3.9090345379885987

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: -3.909035
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.423441286338486, total energy = -3.9090345379885827

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: -3.909035
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4234412734745954, total energy = -3.9090345379886102

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: -3.909035
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.423441311577335, total energy = -3.909034537988602

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: -3.909035
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.423441335931419, total energy = -3.909034537988577

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: -3.909035
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4234412973062662, total energy = -3.9090345379885933

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: -3.909035
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4234412837773487, total energy = -3.909034537988592

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: -3.909035
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.4234413256082874, total energy = -3.9090345379885996

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: -3.909035
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.423441281542182, total energy = -3.9090345379886053

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: -3.909035
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4234412815421855, total energy = -3.909034537988603

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: -3.909035
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4234412796795244, total energy = -3.909034537988589

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: -3.909035
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.423441329738118, total energy = -3.909034537988593

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: -3.909035
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4234413133934094, total energy = -3.909034537988604

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: -3.909035
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4234412610530853, total energy = -3.9090345379885836

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: -3.909035
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4234413035097586, total energy = -3.9090345379885827

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: -3.909035
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.423441320692643, total energy = -3.909034537988598

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: -3.909035
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.423441315814844, total energy = -3.909034537988601

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: -3.909035
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.423441310398626, total energy = -3.909034537988611

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: -3.909035
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.4234412889927626, total energy = -3.9090345379885916

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: -3.909035
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.423441293271757, total energy = -3.9090345379886116

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4234412815421686, total energy = -3.9090345379886

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.4234413289057466, total energy = -3.909034537988578

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4234413103840735, total energy = -3.909034537988604

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.423441318082041, total energy = -3.9090345379886036

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4234413043013827, total energy = -3.9090345379886036

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.4234413041500247, total energy = -3.9090345379885876

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.4234413112979283, total energy = -3.90903453798859

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.4234412860765557, total energy = -3.9090345379886116

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4234412609948777, total energy = -3.909034537988585

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

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.423441284161531, total energy = -3.909034537988594

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 12.54389999523762 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 12.54389999523762 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 12.54389999523762 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 12.54389999523762 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 12.54389999523762 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 12.54389999523762 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 12.54389999523762 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 = 11.125 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 = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 12.54389999523762 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 = 11.25 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 = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 12.54389999523762 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 = 11.375 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 = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 12.54389999523762 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 = 11.5 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 = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 12.54389999523762 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 = 11.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 12.54389999523762 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 4.472364998596215 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.423418510963665, c = 5.590530628176657, total energy = -3.9090345447225587

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 4.751887811008479 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 3.423418564244807, c = 5.590530514295917, total energy = -3.9090345447225583

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 5.031410623420743 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 78
         Function evaluations: 158
Results for this minimization:
  a = 3.4234185229525114, c = 5.590530575661292, total energy = -3.909034544722574

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 5.3109334358330065 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.423418493511596, c = 5.590530522364771, total energy = -3.9090345447225525

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 5.59045624824527 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 3.4234185243426714, c = 5.590530569019203, total energy = -3.909034544722557

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 5.869979060657534 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 80
         Function evaluations: 168
Results for this minimization:
  a = 3.4234185447213377, c = 5.590530468280896, total energy = -3.909034544722556

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 6.149501873069798 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 3.4234185327425637, c = 5.5905305843620345, total energy = -3.909034544722558

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 6.429024685482061 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 3.4234185164096136, c = 5.590530575456325, total energy = -3.9090345447225525

Attempting to perform relaxation using initial lattice constant guess of a = [3.42344131] Angstroms and c = 6.708547497894325 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.909035
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 3.4234185365151246, c = 5.590530488299842, total energy = -3.9090345447225525

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

 Final lattice Constants:
   a = 3.4234185229525114 Angstroms, c = 5.590530575661292 Angstroms, c/a = 1.633026

 Total energy: -3.909034544722574 eV

 Cohesive energy: -0.9772586361806435 eV/atom

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