Element = Lattice = Model = Element: Sn
Lattice: hcp
Model: MEAM_LAMMPS_KoKimKwon_2018_Sn__MO_129364204512_000
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

Optimization terminated successfully.
         Current function value: -12.572654
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 4.4833473603667064, c = 3.3570400348609977, total energy = -12.572653599921383

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 4.546829569640884 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.2775337175085264, c = 5.343231825479304, total energy = -12.339901155639838

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 4.814290132560935 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 3.277533718501875, c = 5.343231817265792, total energy = -12.33990115563984

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 5.081750695480987 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 71
         Function evaluations: 146
Results for this minimization:
  a = 3.277533716230298, c = 5.343231873841395, total energy = -12.33990115563984

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 5.349211258401039 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 3.2775337155388664, c = 5.343231847126942, total energy = -12.33990115563984

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 5.61667182132109 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 3.2775337113251912, c = 5.343231849508788, total energy = -12.339901155639843

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 5.884132384241142 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.27753370584336, c = 5.343231840566264, total energy = -12.33990115563984

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 6.151592947161194 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.2775337248576726, c = 5.343231835728259, total energy = -12.33990115563984

Attempting to perform relaxation using initial lattice constant guess of a = [3.27570953] Angstroms and c = 6.419053510081246 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.339901
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 3.277533708271945, c = 5.343231841146062, total energy = -12.33990115563984

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

 Final lattice Constants:
   a = 4.4833473603667064 Angstroms, c = 3.3570400348609977 Angstroms, c/a = 0.748780

 Total energy: -12.572653599921383 eV

 Cohesive energy: -3.1431633999803457 eV/atom

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