Element = Lattice = Model = Element: Y
Lattice: hcp
Model: MEAM_LAMMPS_AhmadGrohGhazisaeidi_2018_MgY__MO_135739722270_000
Computed model cutoff of 5.874999995827678 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: -17.485645
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6150040030479476, total energy = -17.48564461361906

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: -17.485645
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6150039989501233, total energy = -17.48564461361907

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: -17.485645
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6150039937347174, total energy = -17.485644613619066

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: -17.485645
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.6150039900094373, total energy = -17.485644613619055

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: -17.485645
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.6150039687752766, total energy = -17.485644613619048

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: -17.485645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6150040075182943, total energy = -17.485644613619062

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: -17.485645
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.6150040140608324, total energy = -17.485644613619055

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: -17.485645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6150039954227395, total energy = -17.485644613619062

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: -17.485645
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.615004014968875, total energy = -17.485644613619055

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: -17.485645
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.615004005469384, total energy = -17.48564461361907

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: -17.485645
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6150040056556474, total energy = -17.48564461361906

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: -17.485645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6150040080945445, total energy = -17.485644613619062

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: -17.485645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6150040086358786, total energy = -17.485644613619062

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: -17.485645
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.6150040021631886, total energy = -17.485644613619055

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: -17.485645
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.615003998205069, total energy = -17.48564461361906

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: -17.485645
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.615003986842931, total energy = -17.48564461361906

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: -17.485645
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.615004017669709, total energy = -17.485644613619062

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: -17.485645
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.615004002203932, total energy = -17.485644613619066

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: -17.485645
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6150040169013673, total energy = -17.485644613619062

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: -17.485645
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.6150039788335566, total energy = -17.48564461361905

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: -17.485645
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.6150039777159693, total energy = -17.48564461361906

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: -17.485645
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.615004013141152, total energy = -17.485644613619055

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: -17.485645
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.615004009567201, total energy = -17.485644613619062

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: -17.485645
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.6150040127336975, total energy = -17.48564461361906

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: -17.485645
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.615003994107245, total energy = -17.485644613619062

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: -17.485645
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.615003990009427, total energy = -17.485644613619066

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: -17.485645
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.6150040007196362, total energy = -17.485644613619062

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: -17.485645
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.615004001185298, total energy = -17.48564461361906

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: -17.485645
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6150040090084055, total energy = -17.485644613619066

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: -17.485645
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.615004031360149, total energy = -17.48564461361905

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: -17.485645
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.615003997366877, total energy = -17.485644613619066

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: -17.485645
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.61500397978525, total energy = -17.48564461361906

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: -17.485645
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.615003999788314, total energy = -17.485644613619062

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: -17.485645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.615003983117637, total energy = -17.48564461361906

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: -17.485645
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6150039777159684, total energy = -17.485644613619055

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: -17.485645
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.615003995475128, total energy = -17.485644613619062

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: -17.485645
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6150039941072434, total energy = -17.485644613619055

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: -17.485645
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6150039935018867, total energy = -17.485644613619062

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: -17.485645
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.615003995411094, total energy = -17.48564461361906

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: -17.485645
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6150040012085793, total energy = -17.485644613619066

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 4.722621448292532 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 3.6410020389534017, c = 5.820292265252556, total energy = -17.4922589821068

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 5.017785288810815 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.641002031778912, c = 5.820292257239141, total energy = -17.492258982106804

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 5.312949129329098 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 3.641002018035322, c = 5.820292308517331, total energy = -17.492258982106797

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 5.608112969847381 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 3.641002046766781, c = 5.820292285387305, total energy = -17.4922589821068

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 5.903276810365664 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 3.641002037458237, c = 5.820292181133977, total energy = -17.492258982106797

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 6.198440650883947 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.6410020775697824, c = 5.820292134327799, total energy = -17.49225898210679

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 6.49360449140223 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 3.6410020074516822, c = 5.820292262740898, total energy = -17.492258982106797

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 6.788768331920513 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.6410020314452263, c = 5.820292245563726, total energy = -17.4922589821068

Attempting to perform relaxation using initial lattice constant guess of a = [3.615004] Angstroms and c = 7.0839321724387965 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.492259
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 3.641002049136766, c = 5.820292247380751, total energy = -17.4922589821068

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

 Final lattice Constants:
   a = 3.641002031778912 Angstroms, c = 5.820292257239141 Angstroms, c/a = 1.598541

 Total energy: -17.492258982106804 eV

 Cohesive energy: -4.373064745526701 eV/atom

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