Element = Lattice = Model = Element: Y
Lattice: hcp
Model: MEAM_LAMMPS_KimJeonLee_2015_MgY__MO_018428823000_000
Computed model cutoff of 5.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Y

==============================================================================
==============================================================================
 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: -17.468000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6080794349312835, total energy = -17.468000029972437

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: -17.468000
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.608079417049884, total energy = -17.468000029972423

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: -17.468000
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.608079429715872, total energy = -17.468000029972423

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: -17.468000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6080794354900823, total energy = -17.46800002997243

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: -17.468000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6080794483423273, total energy = -17.46800002997243

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6080794483423255, total energy = -17.468000029972423

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: -17.468000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6080794200301165, total energy = -17.468000029972423

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6080794483423233, total energy = -17.468000029972426

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: -17.468000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6080794364213977, total energy = -17.468000029972426

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.608079447038474, total energy = -17.46800002997242

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6080794069916013, total energy = -17.468000029972412

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: -17.468000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6080794315785134, total energy = -17.468000029972416

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: -17.468000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6080794325098395, total energy = -17.468000029972423

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: -17.468000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6080794458626784, total energy = -17.46800002997242

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: -17.468000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.60807943324908, total energy = -17.468000029972426

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: -17.468000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6080794209090525, total energy = -17.468000029972423

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: -17.468000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.6080794209614404, total energy = -17.468000029972423

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: -17.468000
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.608079422265291, total energy = -17.468000029972426

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: -17.468000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.608079448190984, total energy = -17.46800002997242

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: -17.468000
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.608079433813691, total energy = -17.46800002997242

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: -17.468000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.608079421333969, total energy = -17.468000029972416

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: -17.468000
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.608079417049885, total energy = -17.468000029972416

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: -17.468000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.6080794469453394, total energy = -17.468000029972426

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: -17.468000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.608079438761342, total energy = -17.46800002997243

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: -17.468000
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.6080794349312777, total energy = -17.468000029972426

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: -17.468000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.6080794214678473, total energy = -17.468000029972423

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: -17.468000
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.608079457329585, total energy = -17.468000029972416

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6080794539302588, total energy = -17.46800002997242

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: -17.468000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6080794572830177, total energy = -17.468000029972416

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: -17.468000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6080794531851996, total energy = -17.46800002997242

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: -17.468000
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.608079448941864, total energy = -17.468000029972423

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6080794483423215, total energy = -17.46800002997242

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6080794353038073, total energy = -17.468000029972426

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.608079418912526, total energy = -17.468000029972426

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: -17.468000
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6080794461071486, total energy = -17.468000029972423

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: -17.468000
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.6080794267356397, total energy = -17.468000029972423

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: -17.468000
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.608079426269975, total energy = -17.468000029972423

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: -17.468000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.608079420402646, total energy = -17.468000029972423

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: -17.468000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6080794487555936, total energy = -17.46800002997242

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: -17.468000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.608079447783528, total energy = -17.468000029972426

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: -17.468000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6080794349312715, total energy = -17.468000029972423

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 4.713575235739256 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.646392580302739, c = 5.761849311772744, total energy = -17.482812555482475

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 5.00817368797296 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 3.6463926107174487, c = 5.761849313337229, total energy = -17.482812555482464

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 5.302772140206663 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 3.6463925828656247, c = 5.761849241306873, total energy = -17.482812555482475

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 5.597370592440367 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 62
         Function evaluations: 138
Results for this minimization:
  a = 3.646392592086339, c = 5.761849232210553, total energy = -17.48281255548248

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 5.89196904467407 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 3.6463926194004372, c = 5.761849157899322, total energy = -17.482812555482464

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 6.186567496907774 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.6463925736140146, c = 5.761849306535401, total energy = -17.48281255548247

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 6.481165949141477 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.6463925846834844, c = 5.761849189919994, total energy = -17.482812555482468

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 6.775764401375181 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 3.64639258812942, c = 5.761849333266935, total energy = -17.48281255548247

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807943] Angstroms and c = 7.070362853608884 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482813
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.6463925959453602, c = 5.761849287083359, total energy = -17.482812555482475

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

 Final lattice Constants:
   a = 3.646392592086339 Angstroms, c = 5.761849232210553 Angstroms, c/a = 1.580151

 Total energy: -17.48281255548248 eV

 Cohesive energy: -4.37070313887062 eV/atom

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