Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: MEAM_LAMMPS_ChoiKimSeol_2017_CrMn__MO_671124822359_001
Computed model cutoff of 4.499999992959233 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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.579513618350033, total energy = -16.160094946137697

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: 81
Results for this minimization:
  a = 2.5795136011205613, total energy = -16.160094946137693

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5795136094093323, total energy = -16.160094946137697

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5795136116445114, total energy = -16.160094946137697

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.579513605032119, total energy = -16.160094946137697

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 = 2.5795136110391486, total energy = -16.160094946137704

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: 74
Results for this minimization:
  a = 2.5795136140426624, total energy = -16.160094946137704

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 = 2.5795136145316064, total energy = -16.160094946137704

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: 72
Results for this minimization:
  a = 2.579513609409334, total energy = -16.160094946137697

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: 74
Results for this minimization:
  a = 2.57951360847801, total energy = -16.160094946137697

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: 74
Results for this minimization:
  a = 2.5795136120694235, total energy = -16.160094946137697

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 = 2.5795136183500293, total energy = -16.1600949461377

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: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5795136094093323, total energy = -16.1600949461377

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: 69
Results for this minimization:
  a = 2.5795136155094953, total energy = -16.160094946137704

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: 73
Results for this minimization:
  a = 2.579513615742325, total energy = -16.160094946137693

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5795136194676154, total energy = -16.1600949461377

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5795136176049707, total energy = -16.16009494613769

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.57951362109452, total energy = -16.160094946137697

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136164873833, total energy = -16.160094946137697

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 = 2.5795136061497015, total energy = -16.160094946137697

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136149390587, total energy = -16.160094946137704

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: 77
Results for this minimization:
  a = 2.579513613134621, total energy = -16.160094946137693

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: 77
Results for this minimization:
  a = 2.5795136033557355, total energy = -16.160094946137697

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5795136052649426, total energy = -16.160094946137697

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5795136094093314, total energy = -16.160094946137697

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: -16.160095
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.579513610427968, total energy = -16.160094946137697

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: -16.160095
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5795136100612552, total energy = -16.1600949461377

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: -16.160095
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.579513616161421, total energy = -16.1600949461377

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: -16.160095
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.579513606935502, total energy = -16.160094946137697

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 3.3698624701919955 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.594889398673537, c = 4.163372530841013, total energy = -16.164441497385713

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 3.5804788745789953 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.594889404353353, c = 4.1633725552223435, total energy = -16.16444149738572

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 3.791095278965995 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.5948894140118473, c = 4.163372491312792, total energy = -16.16444149738572

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 4.001711683352995 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.594889402170529, c = 4.163372549479181, total energy = -16.164441497385717

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 4.212328087739994 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 2.594889421705003, c = 4.163372504823535, total energy = -16.164441497385717

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 4.4229444921269945 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.594889417764592, c = 4.163372488442094, total energy = -16.164441497385717

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 4.633560896513995 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.594889409668271, c = 4.163372470183303, total energy = -16.164441497385717

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 4.844177300900994 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.5948894006715095, c = 4.163372524945412, total energy = -16.164441497385713

Attempting to perform relaxation using initial lattice constant guess of a = [2.57951361] Angstroms and c = 5.054793705287993 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.164441
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.594889417828936, c = 4.163372481727878, total energy = -16.164441497385717

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

 Final lattice Constants:
   a = 2.594889404353353 Angstroms, c = 4.1633725552223435 Angstroms, c/a = 1.604451

 Total energy: -16.16444149738572 eV

 Cohesive energy: -4.04111037434643 eV/atom

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