Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000
Computed model cutoff of 5.000000004544876 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: -17.759464
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.4911351673305067, total energy = -17.759463837616195

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: -17.759464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4911351636052124, total energy = -17.759463837616188

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: -17.759464
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.491135150194168, total energy = -17.759463837616178

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: -17.759464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4911351802526096, total energy = -17.759463837616188

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: -17.759464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.491135174781086, total energy = -17.759463837616202

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: -17.759464
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4911351646063853, total energy = -17.759463837616195

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: -17.759464
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.491135171242058, total energy = -17.75946383761619

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: -17.759464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4911351836344693, total energy = -17.759463837616188

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: -17.759464
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4911351663991823, total energy = -17.75946383761619

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: -17.759464
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4911351673305044, total energy = -17.75946383761619

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: -17.759464
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4911351644434037, total energy = -17.759463837616195

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: -17.759464
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4911351625429234, total energy = -17.7594638376162

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: -17.759464
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4911351706832647, total energy = -17.7594638376162

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: -17.759464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4911351666785775, total energy = -17.759463837616195

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: -17.759464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4911351645656397, total energy = -17.759463837616195

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: -17.759464
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4911351846531025, total energy = -17.75946383761619

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: -17.759464
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.491135174711233, total energy = -17.7594638376162

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: -17.759464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4911351664195536, total energy = -17.759463837616195

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: -17.759464
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.491135162487625, total energy = -17.75946383761619

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: -17.759464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.491135170389315, total energy = -17.75946383761619

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: -17.759464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.491135166515596, total energy = -17.759463837616195

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: -17.759464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.491135165374724, total energy = -17.75946383761619

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: -17.759464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4911351767368615, total energy = -17.759463837616195

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: -17.759464
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.491135172336358, total energy = -17.75946383761619

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: -17.759464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4911351561546313, total energy = -17.759463837616188

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: -17.759464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.491135166486494, total energy = -17.759463837616195

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: -17.759464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.491135167330501, total energy = -17.75946383761619

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: -17.759464
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.491135159507394, total energy = -17.759463837616188

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: -17.759464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4911351640243034, total energy = -17.759463837616188

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: -17.759464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4911351684189853, total energy = -17.7594638376162

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: -17.759464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4911351767543257, total energy = -17.759463837616202

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: -17.759464
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.491135162487623, total energy = -17.75946383761619

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: -17.759464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.491135167190805, total energy = -17.75946383761619

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: -17.759464
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.4911351725095248, total energy = -17.75946383761619

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 3.25440536454008 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.486504673148575, c = 4.083145374684326, total energy = -17.760109880912296

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 3.457805699823835 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.4865046867402296, c = 4.083145356009149, total energy = -17.760109880912296

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 3.6612060351075897 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.486504688490924, c = 4.083145355303277, total energy = -17.760109880912296

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 3.8646063703913445 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.486504701319137, c = 4.083145333140507, total energy = -17.760109880912292

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 4.068006705675099 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.4865047047448057, c = 4.083145351239285, total energy = -17.760109880912296

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 4.271407040958854 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.486504676722883, c = 4.083145373726485, total energy = -17.760109880912296

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 4.474807376242609 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.4865046940011117, c = 4.083145335933727, total energy = -17.76010988091229

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 4.678207711526364 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.4865046844272376, c = 4.083145353692982, total energy = -17.760109880912296

Attempting to perform relaxation using initial lattice constant guess of a = [2.49113517] Angstroms and c = 4.881608046810118 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.760110
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.486504681796713, c = 4.083145365589042, total energy = -17.760109880912296

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

 Final lattice Constants:
   a = 2.486504673148575 Angstroms, c = 4.083145374684326 Angstroms, c/a = 1.642123

 Total energy: -17.760109880912296 eV

 Cohesive energy: -4.440027470228074 eV/atom

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