Element = Lattice = Model = Element: Ho
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.684199991226205 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ho

==============================================================================
==============================================================================
 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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: -22.984562
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7346662290860078, total energy = -22.984561940777684

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: -22.984562
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.734666202217346, total energy = -22.984561940777777

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: -22.984562
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.734666219505018, total energy = -22.984561940777684

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: -22.984562
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7346661818912255, total energy = -22.984561940777617

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: -22.984562
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.7346662441268563, total energy = -22.984561940777724

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: -22.984562
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.734666202217346, total energy = -22.98456194077779

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: -22.984562
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.734666199609639, total energy = -22.98456194077771

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: -22.984562
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.73466620487161, total energy = -22.984561940777684

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: -22.984562
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7346662157680806, total energy = -22.984561940777738

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: -22.984562
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.734666232718155, total energy = -22.984561940777716

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: -22.984562
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.7346662273630518, total energy = -22.984561940777734

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: -22.984562
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.7346662269730624, total energy = -22.98456194077773

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: -22.984562
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.7346662241965545, total energy = -22.98456194077766

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: -22.984562
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7346662022173422, total energy = -22.984561940777777

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: -22.984562
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.734666212112643, total energy = -22.984561940777812

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: -22.984562
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.734666219202336, total energy = -22.984561940777812

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: -22.984562
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.734666224490502, total energy = -22.984561940777827

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: -22.984562
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.7346661816467543, total energy = -22.98456194077763

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: -22.984562
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.7346662139694677, total energy = -22.984561940777713

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: -22.984562
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.7346662441268563, total energy = -22.98456194077773

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: -22.984562
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.7346662115305658, total energy = -22.98456194077778

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: -22.984562
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.734666227363051, total energy = -22.984561940777724

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: -22.984562
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.7346662849187857, total energy = -22.98456194077756

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: -22.984562
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.734666199609636, total energy = -22.98456194077771

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: -22.984562
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7346662475320045, total energy = -22.98456194077769

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: -22.984562
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.7346662245690796, total energy = -22.9845619407778

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: -22.984562
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7346661850810046, total energy = -22.984561940777713

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: -22.984562
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.734666215768085, total energy = -22.98456194077772

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: -22.984562
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.734666243114042, total energy = -22.984561940777724

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: -22.984562
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7346662322524935, total energy = -22.984561940777695

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: -22.984562
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.734666201751676, total energy = -22.984561940777862

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: -22.984562
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7346662136114883, total energy = -22.984561940777773

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: -22.984562
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7346662254538394, total energy = -22.984561940777667

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: -22.984562
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.734666221402583, total energy = -22.98456194077774

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: -22.984562
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7346662245690823, total energy = -22.9845619407778

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: -22.984562
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.734666224129611, total energy = -22.98456194077768

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: -22.984562
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.734666202307561, total energy = -22.984561940777752

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: -22.984562
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.734666202217335, total energy = -22.984561940777777

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: -22.984562
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7346662495285243, total energy = -22.984561940777677

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: -22.984562
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7346662022173405, total energy = -22.984561940777784

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: -22.984562
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7346661955772995, total energy = -22.984561940777677

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: -22.984562
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7346662195050113, total energy = -22.98456194077769

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: -22.984562
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7346662086434605, total energy = -22.984561940777734

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: -22.984562
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7346662244904985, total energy = -22.984561940777823

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: -22.984562
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.734666208853014, total energy = -22.984561940777667

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: -22.984562
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.7346661856397976, total energy = -22.984561940777745

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: -22.984562
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7346661908843037, total energy = -22.984561940777734

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: -22.984562
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7346662139694606, total energy = -22.98456194077773

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: -22.984562
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7346661982126497, total energy = -22.9845619407777

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: -22.984562
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.7346662441268563, total energy = -22.984561940777727

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: -22.984562
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.734666230098815, total energy = -22.984561940777713

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: -22.984562
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.734666249062855, total energy = -22.98456194077762

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: -22.984562
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.734666226140681, total energy = -22.984561940777716

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: -22.984562
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.7346661809831825, total energy = -22.984561940777642

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: -22.984562
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.734666185453534, total energy = -22.98456194077767

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: -22.984562
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.7346662849187893, total energy = -22.984561940777553

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: -22.984562
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.734666207130055, total energy = -22.984561940777724

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: -22.984562
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7346662439405844, total energy = -22.98456194077766

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: -22.984562
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.734666241132068, total energy = -22.98456194077772

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: -22.984562
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.7346662475320045, total energy = -22.98456194077769

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: -22.984562
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7346661872230507, total energy = -22.984561940777795

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: -22.984562
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.734666224569069, total energy = -22.984561940777816

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: -22.984562
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.7346662232019225, total energy = -22.984561940777763

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: -22.984562
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.734666185081001, total energy = -22.98456194077772

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: -22.984562
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.7346662022173405, total energy = -22.984561940777805

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: -22.984562
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7346662157680885, total energy = -22.984561940777738

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: -22.984562
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.7346662140393034, total energy = -22.9845619407778

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: -22.984562
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.7346662431140345, total energy = -22.98456194077771

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: -22.984562
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7346662181327654, total energy = -22.984561940777734

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: -22.984562
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.7346662310883403, total energy = -22.984561940777677

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: -22.984562
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7346662240976047, total energy = -22.98456194077779

Attempting to perform relaxation using initial lattice constant guess of a = 10.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.7346662017516654, total energy = -22.984561940777844

Attempting to perform relaxation using initial lattice constant guess of a = 10.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.7346661844057873, total energy = -22.984561940777752

Attempting to perform relaxation using initial lattice constant guess of a = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.734666239097709, total energy = -22.98456194077766

Attempting to perform relaxation using initial lattice constant guess of a = 10.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.7346662195486715, total energy = -22.984561940777684

Attempting to perform relaxation using initial lattice constant guess of a = 10.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.734666225516416, total energy = -22.984561940777688

Attempting to perform relaxation using initial lattice constant guess of a = 10.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.734666246126278, total energy = -22.98456194077763

Attempting to perform relaxation using initial lattice constant guess of a = 11.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.734666221402576, total energy = -22.984561940777816

Attempting to perform relaxation using initial lattice constant guess of a = 11.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7346662308089393, total energy = -22.98456194077768

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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 13.684199991226205 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 = 12.75 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 = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 12.875 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 = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 13.0 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 = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 13.125 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 = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 13.25 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 = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 13.375 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 = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 13.5 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 = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 13.625 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 = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = 13.75 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 = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 13.684199991226205 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 = [3.7346662] Angstroms and c = 4.8789474954185295 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 3.734641396593075, c = 6.098765534232912, total energy = -22.984561980372465

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 5.1838817138821875 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 73
         Function evaluations: 161
Results for this minimization:
  a = 3.7346413793988567, c = 6.098765445088212, total energy = -22.984561980372458

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 5.488815932345846 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.734641328716174, c = 6.098765420849729, total energy = -22.984561980372423

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 5.793750150809504 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 3.7346413844904895, c = 6.098765521998754, total energy = -22.984561980372476

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 6.098684369273162 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.734641393792822, c = 6.098765388609016, total energy = -22.984561980372412

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 6.40361858773682 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 3.734641346630787, c = 6.098765439738824, total energy = -22.984561980372426

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 6.708552806200478 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.7346413534698666, c = 6.098765602678897, total energy = -22.984561980372437

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 7.013487024664136 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 3.7346413522345263, c = 6.098765495196521, total energy = -22.984561980372483

Attempting to perform relaxation using initial lattice constant guess of a = [3.7346662] Angstroms and c = 7.318421243127794 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -22.984562
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 3.7346413737057125, c = 6.098765522255269, total energy = -22.984561980372415

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

 Final lattice Constants:
   a = 3.7346413522345263 Angstroms, c = 6.098765495196521 Angstroms, c/a = 1.633026

 Total energy: -22.984561980372483 eV

 Cohesive energy: -5.746140495093121 eV/atom

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