Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: MEAM_LAMMPS_ChoiKimSeol_2017_CoCr__MO_410167849923_001
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cr

==============================================================================
==============================================================================
 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: -16.160095
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.579513603076342, total energy = -16.160094946042825

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: -16.160095
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.579513605311513, total energy = -16.160094946042822

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: -16.160095
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5795136177912354, total energy = -16.160094946042822

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: -16.160095
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5795136024244183, total energy = -16.160094946042822

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: -16.160095
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.579513603355738, total energy = -16.160094946042825

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: -16.160095
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.579513615882026, total energy = -16.160094946042822

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: -16.160095
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5795136086642745, total energy = -16.16009494604282

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: -16.160095
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.579513607546687, total energy = -16.16009494604282

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: -16.160095
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.579513598978521, total energy = -16.160094946042822

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: -16.160095
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5795135989785196, total energy = -16.16009494604282

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: -16.160095
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5795136120170366, total energy = -16.160094946042822

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: -16.160095
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.579513617465273, total energy = -16.16009494604282

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: -16.160095
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5795136084780097, total energy = -16.160094946042825

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: -16.160095
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5795136155094953, total energy = -16.160094946042825

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: -16.160095
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.579513602424413, total energy = -16.160094946042822

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: -16.160095
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.579513615183532, total energy = -16.16009494604283

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: -16.160095
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.579513610061258, total energy = -16.160094946042825

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: -16.160095
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.579513620585203, total energy = -16.160094946042822

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: -16.160095
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.579513604455859, total energy = -16.160094946042822

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: -16.160095
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136199798416, total energy = -16.160094946042822

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: -16.160095
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5795136027969408, total energy = -16.16009494604282

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: -16.160095
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136158354564, total energy = -16.16009494604282

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: -16.160095
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136229135096, total energy = -16.160094946042822

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: -16.160095
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.5795136103173686, total energy = -16.160094946042825

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: -16.160095
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.579513627290725, total energy = -16.160094946042815

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 3.3698624756061952 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.594889409439038, c = 4.163372504015134, total energy = -16.16444149742582

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 3.5804788803315826 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.5948894390950112, c = 4.16337247843175, total energy = -16.164441497425816

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 3.79109528505697 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.594889455856088, c = 4.1633724899458775, total energy = -16.164441497425813

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.001711689782358 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.594889423494451, c = 4.163372476566789, total energy = -16.164441497425816

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.212328094507745 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.5948894325436402, c = 4.16337248841452, total energy = -16.164441497425823

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.422944499233132 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.594889420932804, c = 4.1633725037173654, total energy = -16.164441497425823

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.63356090395852 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 2.5948894173332504, c = 4.163372535605726, total energy = -16.16444149742582

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 4.844177308683907 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.5948893961335973, c = 4.163372551485416, total energy = -16.164441497425813

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951362] Angstroms and c = 5.054793713409294 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.5948894340131394, c = 4.163372515375401, total energy = -16.164441497425816

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

 Final lattice Constants:
   a = 2.5948894325436402 Angstroms, c = 4.16337248841452 Angstroms, c/a = 1.604451

 Total energy: -16.164441497425823 eV

 Cohesive energy: -4.041110374356456 eV/atom

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