Element = Lattice = Model = Element: Sn
Lattice: hcp
Model: MEAM_LAMMPS_KoKimKwon_2018_Sn__MO_129364204512_002
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sn

==============================================================================
==============================================================================
 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: -12.339791
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.275709532201296, total energy = -12.339790708721923

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: -12.339791
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.2757095298729832, total energy = -12.339790708721925

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: -12.339791
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2757095247507095, total energy = -12.339790708721921

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: -12.339791
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2757095325738272, total energy = -12.339790708721925

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: -12.339791
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.275709521770482, total energy = -12.339790708721923

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: -12.339791
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.275709528173322, total energy = -12.339790708721923

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: -12.339791
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.275709528382867, total energy = -12.339790708721923

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: -12.339791
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.275709525682032, total energy = -12.339790708721921

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: -12.339791
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.275709521770482, total energy = -12.339790708721921

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: -12.339791
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2757095433771624, total energy = -12.33979070872192

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: -12.339791
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.275709523272236, total energy = -12.339790708721923

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: -12.339791
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.275709524750707, total energy = -12.339790708721921

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: -12.339791
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.275709528476, total energy = -12.339790708721923

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: -12.339791
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2757095192559076, total energy = -12.339790708721921

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: -12.339791
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.275709532573821, total energy = -12.339790708721921

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: -12.339791
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.2757095374166965, total energy = -12.339790708721923

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: -12.339791
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.275709535181523, total energy = -12.339790708721921

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: -12.339791
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.2757095247507095, total energy = -12.339790708721921

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: -12.339791
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.275709524843842, total energy = -12.339790708721923

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: -12.339791
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.275709530239692, total energy = -12.339790708721925

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: -12.339791
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.2757095276494503, total energy = -12.339790708721923

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: -12.339791
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.2757095269858834, total energy = -12.339790708721921

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: -12.339791
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.2757095394772477, total energy = -12.339790708721925

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: -12.339791
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.275709528475998, total energy = -12.339790708721925

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: -12.339791
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.275709524936974, total energy = -12.339790708721925

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: -12.339791
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.275709525018467, total energy = -12.339790708721925

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: -12.339791
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.275709532393374, total energy = -12.339790708721925

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: -12.339791
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2757095304405084, total energy = -12.339790708721921

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: -12.339791
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.2757095273584107, total energy = -12.339790708721926

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: -12.339791
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.27570953622926, total energy = -12.339790708721923

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: -12.339791
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.2757095282897355, total energy = -12.339790708721921

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: -12.339791
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.275709525070849, total energy = -12.339790708721925

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: -12.339791
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.27570953220129, total energy = -12.339790708721923

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: -12.339791
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2757095356471786, total energy = -12.339790708721921

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 4.279369006720832 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 4.546829569640884 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 4.814290132560935 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 5.081750695480987 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 5.349211258401039 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 5.61667182132109 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 5.884132384241142 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 6.151592947161194 = ([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 = 5.125 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 = [3.27570953] Angstroms and c = 6.419053510081246 = ([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 = 5.125 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 = [3.27570953] Angstroms, c = [5.34921126] Angstroms, c/a = 1.632993

 Total energy: -12.339790708721926 eV

 Cohesive energy: -3.0849476771804816 eV/atom

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