Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
Computed model cutoff of 4.249999997019805 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 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: -17.755171
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4907293740659973, total energy = -17.755170568938702

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: -17.755171
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490729385614394, total energy = -17.7551705689387

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: -17.755171
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4907293878495693, total energy = -17.755170568938702

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: -17.755171
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4907293647527737, total energy = -17.755170568938688

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: -17.755171
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490729385055604, total energy = -17.755170568938702

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: -17.755171
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4907293850556025, total energy = -17.7551705689387

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: -17.755171
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4907293904572727, total energy = -17.755170568938695

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: -17.755171
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4907293850556016, total energy = -17.7551705689387

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: -17.755171
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4907293677330022, total energy = -17.755170568938702

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: -17.755171
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.490729374438525, total energy = -17.755170568938695

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: -17.755171
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.4907293847762046, total energy = -17.755170568938702

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: -17.755171
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.4907293848693364, total energy = -17.755170568938702

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: -17.755171
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4907293878495693, total energy = -17.7551705689387

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: -17.755171
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.490729387788451, total energy = -17.755170568938695

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: -17.755171
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4907293852418655, total energy = -17.75517056893871

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: -17.755171
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4907293802330956, total energy = -17.755170568938702

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: -17.755171
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4907293875701715, total energy = -17.755170568938706

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: -17.755171
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729382552672, total energy = -17.7551705689387

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: -17.755171
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.490729379002004, total energy = -17.755170568938702

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: -17.755171
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4907293833093704, total energy = -17.7551705689387

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: -17.755171
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.490729385241865, total energy = -17.7551705689387

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: -17.755171
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4907293827389343, total energy = -17.7551705689387

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: -17.755171
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.490729390643537, total energy = -17.755170568938702

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: -17.755171
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.4907293861033364, total energy = -17.7551705689387

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: -17.755171
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4907293856143933, total energy = -17.7551705689387

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: -17.755171
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4907293734606366, total energy = -17.755170568938695

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: -17.755171
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4907293744385215, total energy = -17.755170568938695

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 3.2538752433059206 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.486925169293157, c = 4.079817452853529, total energy = -17.75568626140109

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 3.4572424460125406 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.486925174745081, c = 4.079817455295022, total energy = -17.755686261401088

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 3.6606096487191606 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.4869251746461565, c = 4.07981743894141, total energy = -17.75568626140109

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 3.8639768514257806 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.4869251716276324, c = 4.079817454070676, total energy = -17.755686261401095

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 4.0673440541324 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.486925155109188, c = 4.079817461793073, total energy = -17.7556862614011

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 4.270711256839021 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.486925162753388, c = 4.079817471855078, total energy = -17.7556862614011

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 4.474078459545641 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.48692517688098, c = 4.079817479046296, total energy = -17.75568626140109

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 4.677445662252261 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.4869251903994165, c = 4.079817460590592, total energy = -17.755686261401095

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072939] Angstroms and c = 4.88081286495888 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755686
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.486925151461133, c = 4.0798175022319825, total energy = -17.755686261401088

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

 Final lattice Constants:
   a = 2.486925155109188 Angstroms, c = 4.079817461793073 Angstroms, c/a = 1.640507

 Total energy: -17.7556862614011 eV

 Cohesive energy: -4.438921565350275 eV/atom

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