Element = Lattice = Model = Element: H
Lattice: hcp
Model: Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000
Computed model cutoff of 9.989129384532571 Angstroms
Computed isolated atomic energy of 0.0 eV for species H

==============================================================================
==============================================================================
 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:
ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_half_bin_newtoff_ghost.c
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:
ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_half_bin_newtoff_ghost.c
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:
ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_half_bin_newtoff_ghost.c
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: -1.258916
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.7999823429971022, total energy = -1.2589162301743264

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: -1.258916
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.7999823470134293, total energy = -1.2589162301743173

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: -1.258916
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.7999823393998666, total energy = -1.2589162301743442

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: -1.258916
         Iterations: 31
         Function evaluations: 65
Results for this minimization:
  a = 1.7999823428690434, total energy = -1.2589162301743255

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: -1.258916
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.7999823354184628, total energy = -1.2589162301743293

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: -1.258916
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 1.799982340633869, total energy = -1.258916230174331

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: -0.077016
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.895978591789026, total energy = -0.07701609913800915

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: -0.077016
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.895978625601857, total energy = -0.07701609913800903

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: -0.077016
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.895978598241344, total energy = -0.07701609913800914

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: -0.077016
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.895978600718081, total energy = -0.0770160991380092

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: -0.077016
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8959786021150666, total energy = -0.07701609913800925

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: -0.077016
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.89597860025242, total energy = -0.07701609913800911

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: -0.077016
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8959786013816493, total energy = -0.07701609913800923

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: -0.077016
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.895978602115064, total energy = -0.07701609913800926

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: -0.077016
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.895978577580536, total energy = -0.07701609913800914

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: -0.077016
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.895978601416572, total energy = -0.07701609913800911

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: -0.077016
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8959785864688454, total energy = -0.07701609913800901

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: -0.077016
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8959785623475893, total energy = -0.07701609913800904

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: -0.077016
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8959785640239697, total energy = -0.07701609913800908

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: -0.077016
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8959785951301455, total energy = -0.0770160991380092

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: -0.077016
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8959785903803983, total energy = -0.07701609913800901

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: -0.077016
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.895978600624947, total energy = -0.0770160991380092

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: -0.077016
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.895978595130147, total energy = -0.07701609913800922

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: -0.077016
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.895978615339842, total energy = -0.07701609913800896

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: -0.077016
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8959785877523245, total energy = -0.07701609913800896

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: -0.077016
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8959786256542395, total energy = -0.07701609913800916

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: -0.077016
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8959785677492604, total energy = -0.07701609913800905

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: -0.077016
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8959785969695098, total energy = -0.07701609913800918

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: -0.077016
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.895978586093403, total energy = -0.07701609913800912

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: -0.077016
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8959786007762887, total energy = -0.0770160991380092

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: -0.077016
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8959785928018347, total energy = -0.07701609913800901

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: -0.077016
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.895978602115064, total energy = -0.07701609913800928

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: -0.077016
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.895978586499405, total energy = -0.07701609913800915

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: -0.077016
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8959786012768713, total energy = -0.07701609913800915

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: -0.077016
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.895978626322176, total energy = -0.07701609913800905

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 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 = 5.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.5750000000000117 Angstroms and c = -0.9389710680669041 Angstroms; the model cutoff was estimated to be 9.989129384532571 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 = 5.875 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 = 5.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.5875000000000039 Angstroms and c = -0.9593834825900844 Angstroms; the model cutoff was estimated to be 9.989129384532571 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 = 6.0 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 = 6.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6000000000000156 Angstroms and c = -0.9797958971132967 Angstroms; the model cutoff was estimated to be 9.989129384532571 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 = 6.125 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 = 6.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6125000000000078 Angstroms and c = -1.000208311636477 Angstroms; the model cutoff was estimated to be 9.989129384532571 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 = 6.25 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 = 6.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.625 Angstroms and c = -1.0206207261596576 Angstroms; the model cutoff was estimated to be 9.989129384532571 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 = 6.375 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 = 6.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6375000000000028 Angstroms and c = -1.0410331406828552 Angstroms; the model cutoff was estimated to be 9.989129384532571 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 = 6.5 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 = 6.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.6500000000000128 Angstroms and c = -1.0614455552060647 Angstroms; the model cutoff was estimated to be 9.989129384532571 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 = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.077016
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.895978587307028, total energy = -0.07701609913800907

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: -0.077016
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.895978586468842, total energy = -0.07701609913800904

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: -0.077016
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8959786236227956, total energy = -0.07701609913800904

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: -0.077016
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8959785623475884, total energy = -0.07701609913800901

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: -0.077016
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.895978595863556, total energy = -0.0770160991380092

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: -0.077016
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8959785646991714, total energy = -0.07701609913800914

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: -0.077016
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8959785677492578, total energy = -0.07701609913800905

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: -0.077016
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8959785951301455, total energy = -0.0770160991380092

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: -0.077016
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.895978585071866, total energy = -0.07701609913800905

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: -0.077016
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8959785936283753, total energy = -0.07701609913800918

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: -0.077016
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8959786158054976, total energy = -0.07701609913800897

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: -0.077016
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.8959786005318113, total energy = -0.07701609913800922

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: -0.077016
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.895978601416573, total energy = -0.07701609913800918

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: -0.077016
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8959785951301504, total energy = -0.07701609913800916

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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 9.989129384532571 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 = [1.79998234] Angstroms and c = 2.3514870813604496 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.606026
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.3181147525119155, c = 2.131529691545226, total energy = -1.6060262822751572

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 2.4984550239454775 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.606240
         Iterations: 110
         Function evaluations: 214
Results for this minimization:
  a = 2.3850410354652065, c = 2.031040931794026, total energy = -1.6062398416492314

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 2.6454229665305053 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.606026
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.3181147533097777, c = 2.1315296983031957, total energy = -1.6060262822751588

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 2.7923909091155332 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.606026
         Iterations: 85
         Function evaluations: 176
Results for this minimization:
  a = 2.318114773685132, c = 2.1315296630629956, total energy = -1.606026282275162

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 2.939358851700561 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.811037
         Iterations: 94
         Function evaluations: 198
Results for this minimization:
  a = 1.7053544483169312, c = 5.072607423147581, total energy = -1.8110370515935246

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 3.086326794285589 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.811037
         Iterations: 86
         Function evaluations: 185
Results for this minimization:
  a = 1.7053544495856303, c = 5.072607592645221, total energy = -1.8110370515935186

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 3.233294736870617 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.811037
         Iterations: 83
         Function evaluations: 179
Results for this minimization:
  a = 1.7053544440433774, c = 5.072608044362004, total energy = -1.811037051593514

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 3.3802626794556447 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.811037
         Iterations: 79
         Function evaluations: 171
Results for this minimization:
  a = 1.7053544423773992, c = 5.0726078382982225, total energy = -1.811037051593529

Attempting to perform relaxation using initial lattice constant guess of a = [1.79998234] Angstroms and c = 3.5272306220406726 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.811037
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 1.7053544511237273, c = 5.072607541135778, total energy = -1.8110370515935312

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

 Final lattice Constants:
   a = 1.7053544511237273 Angstroms, c = 5.072607541135778 Angstroms, c/a = 2.974518

 Total energy: -1.8110370515935312 eV

 Cohesive energy: -0.4527592628983828 eV/atom

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