Element = Lattice = Model = Element: O
Lattice: hcp
Model: Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
Computed model cutoff of 9.993798828125 Angstroms
Computed isolated atomic energy of -0.10864257470107648 eV for species O

==============================================================================
==============================================================================
 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: -0.062665
         Iterations: 41
         Function evaluations: 91
Results for this minimization:
  a = 4.58334350958468, total energy = -0.06266467732905756

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: -0.062665
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.583343647047887, total energy = -0.06266467732905973

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: -0.062665
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.5833436466753525, total energy = -0.06266467732905973

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: -0.062665
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.583343595266341, total energy = -0.06266467732905845

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Results for this minimization:
  a = 2.071176020988787, total energy = 11.40789174334094

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: 11.407892
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.071176020617613, total energy = 11.407891753527776

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: -0.062665
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.583343699574473, total energy = -0.06266467732905878

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: -0.062665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.583343663811684, total energy = -0.06266467732905817

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: -0.062665
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.583343595155744, total energy = -0.06266467732905784

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: -0.062665
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.583343566861004, total energy = -0.06266467732905817

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: -0.062665
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.583343625254933, total energy = -0.06266467732905895

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: -0.062665
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 4.583343517780312, total energy = -0.06266467732905678

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: -0.062665
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 4.583343653380871, total energy = -0.06266467732905878

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: -0.062665
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.5833436431363275, total energy = -0.06266467732905812

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: -0.062665
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.583343751728535, total energy = -0.06266467732905862

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: -0.062665
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.583343645313292, total energy = -0.06266467732905784

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: -0.062665
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.583343626931314, total energy = -0.06266467732905784

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: -0.062665
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.583343647583389, total energy = -0.06266467732905912

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: -0.062665
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.583343671262265, total energy = -0.06266467732905912

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: -0.062665
         Iterations: 36
         Function evaluations: 81
Results for this minimization:
  a = 4.5833436995744705, total energy = -0.06266467732905784

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: -0.062665
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.58334369790391, total energy = -0.06266467732905756

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: -0.062665
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.583343698829414, total energy = -0.06266467732905817

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: -0.062665
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 4.583343681693076, total energy = -0.06266467732905884

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: -0.062665
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.583343699376565, total energy = -0.06266467732905817

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: -0.062665
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.583343647420406, total energy = -0.06266467732905784

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: -0.062665
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 4.583343630074523, total energy = -0.06266467732905956

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: -0.062665
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.583343613147736, total energy = -0.062664677329058

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: -0.062665
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 4.583343595155748, total energy = -0.06266467732905773

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: -0.062665
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.583343600554507, total energy = -0.06266467732905884

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: -0.062665
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.583343673497438, total energy = -0.06266467732905878

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: -0.062665
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.5833437169494555, total energy = -0.06266467732905784

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: -0.062665
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.583343637234066, total energy = -0.06266467732905895

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: -0.062665
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.583343670377509, total energy = -0.06266467732905845

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: -0.062665
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.583343579311622, total energy = -0.06266467732905773

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: -0.062665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.583343509584665, total energy = -0.06266467732905773

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: -0.062665
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.583343653380869, total energy = -0.06266467732905884

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: -0.062665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.583343653031625, total energy = -0.06266467732905845

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: -0.062665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.583343648165462, total energy = -0.06266467732905845

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: -0.062665
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.5833436385277295, total energy = -0.06266467732905917

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: -0.062665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.583343751728535, total energy = -0.06266467732905823

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: -0.062665
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.583343701800911, total energy = -0.06266467732905795

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: -0.062665
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 4.583343656361101, total energy = -0.06266467732905834

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: -0.062665
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.58334360302542, total energy = -0.06266467732905956

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: -0.062665
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.583343647047875, total energy = -0.06266467732905934

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: -0.062665
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.5833435147069395, total energy = -0.06266467732905773

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: -0.062665
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 4.583343639597296, total energy = -0.06266467732905823

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: -0.062665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.583343692589546, total energy = -0.06266467732905756

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: -0.062665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.583343670587048, total energy = -0.06266467732905878

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: -0.062665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.583343698200768, total energy = -0.0626646773290584

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: -0.062665
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.583343702368438, total energy = -0.06266467732905795

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: -0.062665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.583343717208485, total energy = -0.06266467732905678

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: -0.062665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.583343697903901, total energy = -0.06266467732905762

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: -0.062665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.583343625254923, total energy = -0.062664677329059

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: -0.062665
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.583343553543086, total energy = -0.06266467732905812

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: -0.062665
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.583343678154051, total energy = -0.06266467732905923

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: -0.062665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.58334370608791, total energy = -0.06266467732905817

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: -0.062665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.5833435879088835, total energy = -0.06266467732905834

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: -0.062665
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.583343724114814, total energy = -0.06266467732905834

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: -0.062665
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 4.5833437235327406, total energy = -0.06266467732905834

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: -0.062665
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.583343595266342, total energy = -0.06266467732905773

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: -0.062665
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.5833436205983205, total energy = -0.06266467732905939

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: -0.062665
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 4.583343569515264, total energy = -0.06266467732905884

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: -0.062665
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.583343587815754, total energy = -0.06266467732905917

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: -0.062665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.583343606255946, total energy = -0.06266467732905856

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: -0.062665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.583343610865995, total energy = -0.06266467732905878

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: -0.062665
         Iterations: 39
         Function evaluations: 88
Results for this minimization:
  a = 4.583343595266346, total energy = -0.06266467732905778

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: -0.062665
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.583343657250216, total energy = -0.06266467732905845

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: -0.062665
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 4.583343578988562, total energy = -0.06266467732905817

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: -0.062665
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.583343553541633, total energy = -0.062664677329058

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: -0.062665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.583343587815762, total energy = -0.06266467732905823

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


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 5.987655067250263 = ([1.30639453] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 6.3618835089534045 = ([1.38804419] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 6.736111950656546 = ([1.46969385] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 7.110340392359687 = ([1.5513435] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 7.484568834062828 = ([1.63299316] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 7.858797275765969 = ([1.71464282] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 8.233025717469111 = ([1.79629248] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 8.607254159172252 = ([1.87794214] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [4.58334365] Angstroms and c = 8.981482600875392 = ([1.95959179] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [4.58334365] Angstroms, c = [7.48456883] Angstroms, c/a = 1.632993

 Total energy: -0.06266467732905973 eV

 Cohesive energy: -0.01566616933226493 eV/atom

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