Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_001
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 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: -17.755114
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.490729659050706, total energy = -17.75511360835123

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: -17.755114
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.4907296647317705, total energy = -17.75511360835123

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: -17.755114
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4907296746969223, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4907296761870428, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4907296532765058, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729664731772, total energy = -17.755113608351238

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: -17.755114
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4907296707853686, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4907296775490977, total energy = -17.75511360835123

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: -17.755114
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.490729665756227, total energy = -17.755113608351227

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: -17.755114
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.490729664964602, total energy = -17.755113608351234

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: -17.755114
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4907296764664357, total energy = -17.755113608351234

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: -17.755114
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.4907296741846947, total energy = -17.755113608351234

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: -17.755114
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.490729663404636, total energy = -17.75511360835123

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: -17.755114
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4907296763267377, total energy = -17.755113608351234

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: -17.755114
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.4907296685036266, total energy = -17.75511360835123

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: -17.755114
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4907296704128377, total energy = -17.75511360835124

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4907296708784994, total energy = -17.755113608351238

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: -17.755114
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490729650889989, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.490729667758568, total energy = -17.75511360835123

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729665569961, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4907296590507024, total energy = -17.755113608351227

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: -17.755114
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490729661937801, total energy = -17.755113608351238

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: -17.755114
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4907296679448336, total energy = -17.755113608351227

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: -17.755114
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490729674813334, total energy = -17.75511360835123

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: -17.755114
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.490729665663092, total energy = -17.75511360835123

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.2538756158517184 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.4869181289321114, c = 4.0798422000613765, total energy = -17.755631612642315

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.457242841842451 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.486918129060493, c = 4.079842150676141, total energy = -17.755631612642322

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.660610067833183 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.4869181236409297, c = 4.079842192005717, total energy = -17.75563161264232

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 3.8639772938239156 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.4869181110337992, c = 4.079842195160861, total energy = -17.755631612642315

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.0673445198146485 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 63
         Function evaluations: 141
Results for this minimization:
  a = 2.4869181391784467, c = 4.079842144385321, total energy = -17.75563161264232

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.2707117458053805 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.4869181196743035, c = 4.079842198958103, total energy = -17.755631612642315

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.4740789717961125 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.486918129137186, c = 4.079842150879704, total energy = -17.75563161264232

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.677446197786845 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.486918136484312, c = 4.079842160073973, total energy = -17.755631612642315

Attempting to perform relaxation using initial lattice constant guess of a = [2.49072967] Angstroms and c = 4.880813423777578 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.755632
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.4869181200757824, c = 4.079842151635912, total energy = -17.75563161264231

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

 Final lattice Constants:
   a = 2.486918129060493 Angstroms, c = 4.079842150676141 Angstroms, c/a = 1.640521

 Total energy: -17.755631612642322 eV

 Cohesive energy: -4.4389079031605805 eV/atom

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