Element = Lattice = Model = Element: In
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.120599999837617 Angstroms
Computed isolated atomic energy of 0.0 eV for species In

==============================================================================
==============================================================================
 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 10.120599999837617 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: -27.023494
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.762095183250493, total energy = -27.023493614885997

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: -27.023494
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7620951826684177, total energy = -27.02349361488599

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: -27.023494
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.762095173727728, total energy = -27.02349361488599

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: -27.023494
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.7620951771037676, total energy = -27.023493614886043

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: -27.023494
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.762095172982665, total energy = -27.02349361488595

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: -27.023494
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7620951797813174, total energy = -27.023493614886014

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: -27.023494
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.762095188139938, total energy = -27.023493614885968

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: -27.023494
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7620951816439634, total energy = -27.023493614885957

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: -27.023494
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7620951530989264, total energy = -27.023493614885986

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: -27.023494
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.762095177173614, total energy = -27.02349361488594

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: -27.023494
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7620951737277197, total energy = -27.02349361488599

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: -27.023494
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7620951832504943, total energy = -27.023493614886

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: -27.023494
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7620951827964744, total energy = -27.02349361488603

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: -27.023494
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7620951851247817, total energy = -27.02349361488601

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: -27.023494
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.762095189333194, total energy = -27.023493614886103

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: -27.023494
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.762095181085168, total energy = -27.023493614885965

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: -27.023494
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7620951878634514, total energy = -27.023493614886043

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: -27.023494
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7620951729826624, total energy = -27.023493614885947

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: -27.023494
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7620951972901815, total energy = -27.023493614886053

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: -27.023494
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7620951797813156, total energy = -27.023493614886014

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: -27.023494
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.76209517844545, total energy = -27.023493614886014

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: -27.023494
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.762095187790692, total energy = -27.02349361488597

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: -27.023494
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7620951873948774, total energy = -27.023493614885986

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: -27.023494
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.762095183040945, total energy = -27.023493614885965

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: -27.023494
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7620951972901833, total energy = -27.02349361488603

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: -27.023494
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.762095153098923, total energy = -27.023493614885975

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: -27.023494
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7620951856079046, total energy = -27.023493614885993

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: -27.023494
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.762095176964062, total energy = -27.023493614885957

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: -27.023494
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.762095187325029, total energy = -27.023493614886

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: -27.023494
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.762095173727723, total energy = -27.023493614885986

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: -27.023494
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.7620951822900652, total energy = -27.023493614885997

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: -27.023494
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.762095184531063, total energy = -27.02349361488599

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: -27.023494
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.762095181527542, total energy = -27.02349361488606

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: -27.023494
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7620951849967215, total energy = -27.023493614885968

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: -27.023494
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7620951889315632, total energy = -27.023493614886014

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: -27.023494
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7620951851247773, total energy = -27.02349361488604

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: -27.023494
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.762095191894332, total energy = -27.02349361488594

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: -27.023494
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.762095188931556, total energy = -27.023493614886032

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: -27.023494
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.762095171939289, total energy = -27.023493614886007

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: -27.023494
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.762095177103757, total energy = -27.023493614886064

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: -27.023494
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7620951797813142, total energy = -27.023493614886004

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: -27.023494
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7620951878634514, total energy = -27.02349361488604

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: -27.023494
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.762095173087435, total energy = -27.02349361488592

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: -27.023494
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7620951820630526, total energy = -27.02349361488602

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: -27.023494
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7620951796270594, total energy = -27.02349361488607

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: -27.023494
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.762095197290178, total energy = -27.023493614886068

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: -27.023494
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.76209518435644, total energy = -27.023493614886036

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: -27.023494
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7620951797813156, total energy = -27.023493614886

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: -27.023494
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7620951939112204, total energy = -27.02349361488599

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: -27.023494
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.762095157429567, total energy = -27.02349361488594

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: -27.023494
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.762095197499725, total energy = -27.023493614885965

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: -27.023494
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7620951684075408, total energy = -27.02349361488589

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: -27.023494
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7620952027093195, total energy = -27.023493614885975

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: -27.023494
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.762095157802092, total energy = -27.023493614885894

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: -27.023494
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.762095180107271, total energy = -27.023493614885947

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: -27.023494
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.762095165252681, total energy = -27.023493614885933

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: -27.023494
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7620951686694752, total energy = -27.02349361488609

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: -27.023494
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.762095197290187, total energy = -27.023493614886025

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 10.120599999837617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 10.120599999837617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 10.120599999837617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 10.120599999837617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 10.120599999837617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 = [2.76209519] Angstroms and c = 3.608386045259957 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.7620767914448887, c = 4.510542551317633, total energy = -27.023493661438472

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 3.833910173088704 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.7620768154489843, c = 4.510542533863498, total energy = -27.02349366143848

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 4.059434300917451 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.7620768116484626, c = 4.510542477377493, total energy = -27.02349366143856

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 4.284958428746199 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.76207683784625, c = 4.510542465351138, total energy = -27.023493661438362

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 4.510482556574946 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 2.7620768259519437, c = 4.510542465470987, total energy = -27.023493661438444

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 4.7360066844036925 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.7620768007289858, c = 4.510542527362613, total energy = -27.02349366143849

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 4.96153081223244 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.762076798213762, c = 4.510542502939842, total energy = -27.02349366143844

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 5.187054940061188 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.762076812751161, c = 4.510542555259077, total energy = -27.023493661438557

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209519] Angstroms and c = 5.412579067889935 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.023494
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 2.762076799057431, c = 4.510542536177148, total energy = -27.023493661438415

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

 Final lattice Constants:
   a = 2.7620768116484626 Angstroms, c = 4.510542477377493 Angstroms, c/a = 1.633026

 Total energy: -27.02349366143856 eV

 Cohesive energy: -6.75587341535964 eV/atom

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