Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -13.307992
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8666342765092887, total energy = -13.307991835033613

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: -13.307992
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8666342852113296, total energy = -13.307991835033611

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: -13.307992
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8666342720389366, total energy = -13.30799183503361

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: -13.307992
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.866634280979639, total energy = -13.30799183503361

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: -13.307992
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8666342679411203, total energy = -13.30799183503361

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: -13.307992
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.866634283401074, total energy = -13.307991835033606

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: -13.307992
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.866634285612963, total energy = -13.307991835033608

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342876385897, total energy = -13.307991835033606

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: -13.307992
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8666342601180106, total energy = -13.307991835033606

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342721437115, total energy = -13.307991835033611

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.866634253412486, total energy = -13.307991835033604

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: -13.307992
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.866634277626871, total energy = -13.307991835033604

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: -13.307992
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8666342720389366, total energy = -13.307991835033606

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: -13.307992
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8666342606768014, total energy = -13.307991835033608

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: -13.307992
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.866634264588356, total energy = -13.307991835033608

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: -13.307992
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.866634281247389, total energy = -13.307991835033611

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: -13.307992
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.866634282469749, total energy = -13.307991835033604

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: -13.307992
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.866634279489517, total energy = -13.307991835033608

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: -13.307992
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.866634280979633, total energy = -13.30799183503361

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: -13.307992
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8666342713549966, total energy = -13.30799183503361

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: -13.307992
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.866634274856187, total energy = -13.307991835033611

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: -13.307992
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8666342648677507, total energy = -13.307991835033608

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: -13.307992
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.866634253412485, total energy = -13.307991835033608

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342649608825, total energy = -13.307991835033608

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: -13.307992
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342854499804, total energy = -13.307991835033611

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: -13.307992
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.86663427380845, total energy = -13.307991835033611

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: -13.307992
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8666342751122986, total energy = -13.307991835033606

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: -13.307992
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8666342759970576, total energy = -13.307991835033608

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: -13.307992
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8666342869400943, total energy = -13.307991835033606

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: -13.307992
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8666342624113894, total energy = -13.307991835033606

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: -13.307992
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.866634270548822, total energy = -13.30799183503361

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: -13.307992
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.8666342608514217, total energy = -13.307991835033611

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.7449553368640958 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 78
         Function evaluations: 159
Results for this minimization:
  a = 2.83255635522009, c = 4.794639587117844, total energy = -13.321925797968063

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 3.9790150454181017 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.8325563679984893, c = 4.7946395274037235, total energy = -13.32192579796806

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.213074753972108 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.832556367785693, c = 4.794639669646921, total energy = -13.321925797968056

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.4471344625261136 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 61
         Function evaluations: 138
Results for this minimization:
  a = 2.832556362514891, c = 4.794639549118164, total energy = -13.321925797968063

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.6811941710801195 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.8325563718246487, c = 4.7946396133127065, total energy = -13.321925797968063

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 4.915253879634125 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.8325563820626516, c = 4.794639555282562, total energy = -13.321925797968065

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.149313588188131 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.832556355759523, c = 4.794639571851206, total energy = -13.321925797968065

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.383373296742137 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.832556381674304, c = 4.794639585835215, total energy = -13.321925797968063

Attempting to perform relaxation using initial lattice constant guess of a = [2.86663428] Angstroms and c = 5.617433005296143 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.321926
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.8325563766420325, c = 4.794639521792243, total energy = -13.321925797968065

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

 Final lattice Constants:
   a = 2.8325563820626516 Angstroms, c = 4.794639555282562 Angstroms, c/a = 1.692690

 Total energy: -13.321925797968065 eV

 Cohesive energy: -3.3304814494920163 eV/atom

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