Element = Lattice = Model = Element: Ge
Lattice: hcp
Model: MEAM_LAMMPS_KimShinLee_2008_Ge__MO_657096500078_001
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ge

==============================================================================
==============================================================================
 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))

Optimization terminated successfully.
         Current function value: -13.408473
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.954214286804204, total energy = -13.408473133050158

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: -13.408473
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9542142953723665, total energy = -13.408473133050165

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: -13.408473
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9542143047438003, total energy = -13.408473133050174

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: -13.408473
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.954214310413234, total energy = -13.408473133050173

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: -13.408473
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.954214303754273, total energy = -13.408473133050167

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: -13.408473
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.954214313998821, total energy = -13.408473133050173

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: -13.408473
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9542142979335035, total energy = -13.408473133050173

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: -13.408473
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9542143121361732, total energy = -13.408473133050164

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: -13.408473
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9542143105529277, total energy = -13.408473133050169

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: -13.408473
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9542142989463187, total energy = -13.40847313305017

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: -13.408473
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9542143008206043, total energy = -13.40847313305017

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: -13.408473
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9542143080383525, total energy = -13.408473133050169

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: -13.408473
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9542143046855927, total energy = -13.408473133050181

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: -13.408473
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9542143005412074, total energy = -13.408473133050173

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: -13.408473
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.95421430580318, total energy = -13.40847313305018

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: -13.408473
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9542143039405344, total energy = -13.408473133050176

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: -13.408473
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.954214303195476, total energy = -13.40847313305017

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: -13.408473
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9542143108847085, total energy = -13.408473133050173

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: -13.408473
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.954214315209537, total energy = -13.408473133050169

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: -13.408473
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.954214314650744, total energy = -13.408473133050169

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: -13.408473
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.9542143054306504, total energy = -13.408473133050165

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: -13.408473
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.954214313591363, total energy = -13.408473133050174

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: -13.408473
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.954214306548238, total energy = -13.408473133050176

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: -13.408473
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9542143035912862, total energy = -13.408473133050176

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: -13.408473
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9542142905294875, total energy = -13.408473133050173

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: -13.408473
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.954214303754271, total energy = -13.408473133050174

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: -13.408473
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.954214297363067, total energy = -13.408473133050167

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: -13.408473
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9542143158614635, total energy = -13.408473133050169

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: -13.408473
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.954214308783409, total energy = -13.40847313305017

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: -13.408473
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9542143062833923, total energy = -13.408473133050169

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.9542143] Angstroms and c = 3.8593694065657056 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 4.100579994476062 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 4.341790582386419 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 4.583001170296775 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 4.824211758207132 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 5.065422346117488 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 5.306632934027845 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 5.547843521938201 = ([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 = 4.625 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 = [2.9542143] Angstroms and c = 5.789054109848558 = ([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 = 4.625 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 = [2.9542143] Angstroms, c = [4.82421176] Angstroms, c/a = 1.632993

 Total energy: -13.408473133050181 eV

 Cohesive energy: -3.3521182832625454 eV/atom

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