Element = Lattice = Model = Element: Re
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.762100007236032 Angstroms
Computed isolated atomic energy of 0.0 eV for species Re

==============================================================================
==============================================================================
 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 10.762100007236032 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: -147.845988
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9371557577396743, total energy = -147.84598812542907

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: -147.845988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9371557738631964, total energy = -147.84598812542967

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: -147.845988
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.937155792349956, total energy = -147.8459881254296

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: -147.845988
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.937155793607239, total energy = -147.8459881254298

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: -147.845988
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9371557631413454, total energy = -147.84598812542959

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: -147.845988
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.937155782885384, total energy = -147.84598812542976

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: -147.845988
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.937155769963283, total energy = -147.84598812542927

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: -147.845988
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.937155793607237, total energy = -147.84598812542973

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: -147.845988
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.937155804038049, total energy = -147.84598812542907

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: -147.845988
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.937155758577865, total energy = -147.84598812542959

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: -147.845988
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9371557649224984, total energy = -147.8459881254297

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: -147.845988
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.937155779800378, total energy = -147.84598812542976

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: -147.845988
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.9371557878970647, total energy = -147.84598812542998

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: -147.845988
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.937155809253454, total energy = -147.84598812542924

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: -147.845988
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.937155750795501, total energy = -147.84598812542876

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: -147.845988
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.937155777961016, total energy = -147.84598812542941

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: -147.845988
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.937155794352293, total energy = -147.84598812542964

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: -147.845988
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9371557953767464, total energy = -147.8459881254297

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: -147.845988
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9371557764941816, total energy = -147.84598812542978

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: -147.845988
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.9371557951904825, total energy = -147.84598812542936

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: -147.845988
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9371557986363754, total energy = -147.8459881254293

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: -147.845988
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9371557732811198, total energy = -147.8459881254296

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: -147.845988
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.937155776453434, total energy = -147.84598812542964

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: -147.845988
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9371557943522912, total energy = -147.84598812542953

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: -147.845988
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9371557723730817, total energy = -147.84598812542916

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: -147.845988
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.937155800871549, total energy = -147.84598812542922

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: -147.845988
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9371557710692286, total energy = -147.84598812542902

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: -147.845988
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.937155811488626, total energy = -147.84598812542905

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: -147.845988
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9371557910460973, total energy = -147.8459881254296

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: -147.845988
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.93715579234995, total energy = -147.84598812542964

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: -147.845988
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.937155783099294, total energy = -147.84598812542953

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: -147.845988
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.937155779800378, total energy = -147.84598812542964

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: -147.845988
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.937155776238064, total energy = -147.84598812542941

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: -147.845988
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.937155787897062, total energy = -147.8459881254298

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: -147.845988
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.937155778068701, total energy = -147.84598812542927

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: -147.845988
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9371558092534507, total energy = -147.84598812542924

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: -147.845988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.937155776860891, total energy = -147.84598812542984

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: -147.845988
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.937155750326924, total energy = -147.84598812542882

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: -147.845988
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9371557910460955, total energy = -147.84598812542956

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: -147.845988
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9371557769831202, total energy = -147.84598812542964

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: -147.845988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.937155763246115, total energy = -147.8459881254295

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: -147.845988
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.937155794352293, total energy = -147.8459881254297

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: -147.845988
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9371557762322458, total energy = -147.84598812542995

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: -147.845988
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.937155795376741, total energy = -147.8459881254297

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: -147.845988
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9371557765349205, total energy = -147.84598812542984

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: -147.845988
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.9371557632926812, total energy = -147.84598812542959

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: -147.845988
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.937155809253454, total energy = -147.84598812542924

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: -147.845988
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.937155773269476, total energy = -147.84598812542947

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: -147.845988
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.937155777087895, total energy = -147.8459881254295

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: -147.845988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.937155770277596, total energy = -147.84598812542944

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: -147.845988
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9371557656675535, total energy = -147.84598812542922

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: -147.845988
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.937155769963283, total energy = -147.84598812542927

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: -147.845988
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9371557960752437, total energy = -147.84598812542953

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: -147.845988
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9371557764534235, total energy = -147.84598812542953

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: -147.845988
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9371557880192913, total energy = -147.84598812542953

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: -147.845988
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.937155795097346, total energy = -147.8459881254295

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: -147.845988
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 2.937155765524949, total energy = -147.84598812542987

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: -147.845988
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9371557723730852, total energy = -147.8459881254292

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: -147.845988
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.9371557634789363, total energy = -147.8459881254293

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: -147.845988
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9371558008715417, total energy = -147.84598812542922

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: -147.845988
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.937155773420813, total energy = -147.84598812542947

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: -147.845988
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.9371557710692286, total energy = -147.84598812542907

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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 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 10.762100007236032 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 10.762100007236032 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 10.762100007236032 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 10.762100007236032 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 10.762100007236032 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 10.762100007236032 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 10.762100007236032 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 = [2.93715579] Angstroms and c = 3.8370842535520557 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 64
         Function evaluations: 146
Results for this minimization:
  a = 2.9371362307058497, c = 4.796419149899714, total energy = -147.84598838011846

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 4.076902019399059 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.937136244129183, c = 4.796419090374428, total energy = -147.84598838011868

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 4.316719785246062 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.93713622947278, c = 4.796419187089986, total energy = -147.84598838011823

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 4.556537551093065 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.937136248260576, c = 4.796419095261576, total energy = -147.8459883801188

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 4.796355316940068 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.9371362263793688, c = 4.79641909300481, total energy = -147.84598838011874

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 5.036173082787071 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.9371362545271134, c = 4.796419064376341, total energy = -147.84598838011843

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 5.275990848634074 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.9371362618992367, c = 4.796419064072785, total energy = -147.84598838011894

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 5.515808614481077 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.9371362743333553, c = 4.7964190333715155, total energy = -147.84598838011888

Attempting to perform relaxation using initial lattice constant guess of a = [2.93715579] Angstroms and c = 5.7556263803280805 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -147.845988
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.9371362354830763, c = 4.796419053780459, total energy = -147.84598838011865

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

 Final lattice Constants:
   a = 2.9371362618992367 Angstroms, c = 4.796419064072785 Angstroms, c/a = 1.633026

 Total energy: -147.84598838011894 eV

 Cohesive energy: -36.961497095029735 eV/atom

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