Element = Lattice = Model = Element: Mg
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 Mg

==============================================================================
==============================================================================
 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: -6.037637
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.180163196474319, total energy = -6.037637362555958

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: -6.037637
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.18016319135204, total energy = -6.037637362555958

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: -6.037637
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.18016317486763, total energy = -6.037637362555956

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: -6.037637
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1801631820388216, total energy = -6.037637362555958

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: -6.037637
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.180163201200779, total energy = -6.037637362555956

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: -6.037637
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1801631790236584, total energy = -6.037637362555957

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: -6.037637
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.180163193494081, total energy = -6.037637362555955

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: -6.037637
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.18016317486763, total energy = -6.037637362555956

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: -6.037637
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.180163193494085, total energy = -6.037637362555955

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: -6.037637
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.180163201689722, total energy = -6.037637362555954

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: -6.037637
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1801631775219006, total energy = -6.037637362555955

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: -6.037637
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.1801631879992773, total energy = -6.037637362555955

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: -6.037637
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.18016317486763, total energy = -6.037637362555954

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: -6.037637
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.1801631891343285, total energy = -6.037637362555956

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: -6.037637
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1801631830632706, total energy = -6.037637362555957

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: -6.037637
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 3.18016317486763, total energy = -6.037637362555956

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: -6.037637
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.1801631776615986, total energy = -6.037637362555956

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: -6.037637
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.1801631848793477, total energy = -6.037637362555953

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: -6.037637
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.1801631776615973, total energy = -6.037637362555955

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: -6.037637
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.180163174588233, total energy = -6.037637362555957

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: -6.037637
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1801631832262496, total energy = -6.037637362555956

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: -6.037637
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1801631888374677, total energy = -6.037637362555954

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: -6.037637
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.1801631774869747, total energy = -6.037637362555956

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: -6.037637
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.180163177661596, total energy = -6.037637362555954

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: -6.037637
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.1801631987094874, total energy = -6.0376373625559525

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: -6.037637
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.18016317409929, total energy = -6.037637362555955

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: -6.037637
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1801632016897186, total energy = -6.037637362555952

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: -6.037637
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1801631877897307, total energy = -6.037637362555955

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: -6.037637
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1801631779409925, total energy = -6.037637362555954

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: -6.037637
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1801631987094874, total energy = -6.037637362555952

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: -6.037637
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.18016318799928, total energy = -6.037637362555954

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: -6.037637
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.1801631740294365, total energy = -6.037637362555959

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: -6.037637
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.18016317486763, total energy = -6.037637362555954

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: -6.037637
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.180163205682762, total energy = -6.0376373625559525

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: -6.037637
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.180163188767618, total energy = -6.037637362555957

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: -6.037637
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.180163163132967, total energy = -6.0376373625559525

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: -6.037637
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1801631830632657, total energy = -6.037637362555957

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: -6.037637
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.180163191194879, total energy = -6.037637362555955

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: -6.037637
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1801631748676256, total energy = -6.037637362555955

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: -6.037637
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.18016318369191, total energy = -6.037637362555957

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 4.15454777341968 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 3.186624180616697, c = 5.172236884458297, total energy = -6.037988705276286

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 4.41420700925841 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.1866241682695735, c = 5.1722369056107125, total energy = -6.0379887052762875

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 4.67386624509714 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 3.1866241618040627, c = 5.172236909125491, total energy = -6.037988705276287

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 4.93352548093587 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 3.1866241674079205, c = 5.172236901732274, total energy = -6.037988705276289

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 5.1931847167746 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.1866241709613106, c = 5.172236854790418, total energy = -6.037988705276286

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 5.45284395261333 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.1866241606589094, c = 5.172236925316998, total energy = -6.0379887052762875

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 5.71250318845206 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 3.186624196568003, c = 5.1722369149307985, total energy = -6.037988705276284

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 5.97216242429079 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 3.1866241493899814, c = 5.1722369321133925, total energy = -6.037988705276285

Attempting to perform relaxation using initial lattice constant guess of a = [3.18016317] Angstroms and c = 6.23182166012952 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.037989
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 3.186624159889961, c = 5.172236923324906, total energy = -6.0379887052762875

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

 Final lattice Constants:
   a = 3.1866241674079205 Angstroms, c = 5.172236901732274 Angstroms, c/a = 1.623109

 Total energy: -6.037988705276289 eV

 Cohesive energy: -1.5094971763190723 eV/atom

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