Element = Lattice = Model = Element: Li
Lattice: hcp
Model: MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Li

==============================================================================
==============================================================================
 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: -6.693852
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.214468741416936, total energy = -6.693851862945101

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: -6.693852
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.214468750578818, total energy = -6.693851862945101

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: -6.693852
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2144687473773956, total energy = -6.6938518629451

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: -6.693852
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2144687444903024, total energy = -6.693851862945101

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: -6.693852
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.214468736574058, total energy = -6.6938518629451

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: -6.693852
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.2144687408581394, total energy = -6.693851862945099

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: -6.693852
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2144687600433826, total energy = -6.693851862945097

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: -6.693852
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.2144687329418957, total energy = -6.693851862945099

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: -6.693852
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.214468729496006, total energy = -6.693851862945099

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: -6.693852
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.214468737982681, total energy = -6.6938518629451

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: -6.693852
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.214468725118787, total energy = -6.693851862945099

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: -6.693852
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.2144687574356774, total energy = -6.693851862945098

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: -6.693852
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.2144687329418957, total energy = -6.693851862945101

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: -6.693852
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.2144687464751778, total energy = -6.693851862945099

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: -6.693852
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2144687292515313, total energy = -6.6938518629451

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: -6.693852
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.2144687468418853, total energy = -6.693851862945101

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: -6.693852
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.214468739926816, total energy = -6.6938518629451

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: -6.693852
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.214468738879077, total energy = -6.6938518629451

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: -6.693852
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.214468738436699, total energy = -6.693851862945098

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: -6.693852
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.214468745575869, total energy = -6.6938518629451

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: -6.693852
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.2144687232095746, total energy = -6.693851862945099

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: -6.693852
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.2144687303109087, total energy = -6.6938518629451

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: -6.693852
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.2144687343388796, total energy = -6.693851862945101

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: -6.693852
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2144687310559648, total energy = -6.693851862945102

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: -6.693852
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2144687308929862, total energy = -6.693851862945101

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: -6.693852
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.214468720927835, total energy = -6.693851862945099

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: -6.693852
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.214468755200503, total energy = -6.693851862945099

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: -6.693852
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.21446874835965, total energy = -6.693851862945101

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: -6.693852
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2144687309861157, total energy = -6.693851862945098

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: -6.693852
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2144687365740534, total energy = -6.693851862945098

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: -6.693852
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.2144687344320126, total energy = -6.6938518629451

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: -6.693852
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.214468750487138, total energy = -6.693851862945099

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: -6.693852
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.214468762278557, total energy = -6.693851862945099

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: -6.693852
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.214468758273866, total energy = -6.693851862945099

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 4.199364365450051 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 3.216316384986838, c = 5.243173520691153, total energy = -6.6938608446990635

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 4.461824638290679 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 79
         Function evaluations: 163
Results for this minimization:
  a = 3.2163163715909833, c = 5.243173510728024, total energy = -6.693860844699065

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 4.724284911131307 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 67
         Function evaluations: 152
Results for this minimization:
  a = 3.2163163820794844, c = 5.243173470089217, total energy = -6.693860844699065

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 4.9867451839719354 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 3.216316343859667, c = 5.243173539705412, total energy = -6.6938608446990635

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 5.249205456812564 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.2163163703928834, c = 5.243173488995159, total energy = -6.6938608446990635

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 5.511665729653192 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 3.2163163916600856, c = 5.243173500137283, total energy = -6.693860844699064

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 5.77412600249382 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 3.216316379301954, c = 5.243173469505379, total energy = -6.693860844699063

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 6.036586275334448 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.216316344105268, c = 5.243173509861638, total energy = -6.693860844699063

Attempting to perform relaxation using initial lattice constant guess of a = [3.21446873] Angstroms and c = 6.299046548175077 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.693861
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.2163163591768518, c = 5.243173563554617, total energy = -6.6938608446990635

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

 Final lattice Constants:
   a = 3.2163163715909833 Angstroms, c = 5.243173510728024 Angstroms, c/a = 1.630180

 Total energy: -6.693860844699065 eV

 Cohesive energy: -1.6734652111747663 eV/atom

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