Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_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: -17.715464
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4913719024509224, total energy = -17.71546397486331

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: -17.715464
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4913718949537715, total energy = -17.715463974863315

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: -17.715464
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.491371888667345, total energy = -17.715463974863315

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: -17.715464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.491371900518429, total energy = -17.715463974863315

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: -17.715464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.491371895372869, total energy = -17.71546397486331

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: -17.715464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718920201076, total energy = -17.715463974863315

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: -17.715464
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.491371891694144, total energy = -17.715463974863322

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: -17.715464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491371888667345, total energy = -17.715463974863315

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: -17.715464
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4913718879222886, total energy = -17.71546397486331

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: -17.715464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.491371896310011, total energy = -17.71546397486331

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: -17.715464
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.491371892858297, total energy = -17.71546397486332

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: -17.715464
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4913718870375297, total energy = -17.71546397486331

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: -17.715464
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.491371888667345, total energy = -17.715463974863315

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: -17.715464
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4913718920201067, total energy = -17.71546397486332

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: -17.715464
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4913718987256277, total energy = -17.715463974863308

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: -17.715464
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4913719102740277, total energy = -17.715463974863308

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: -17.715464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.491371892858295, total energy = -17.71546397486331

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: -17.715464
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718859897926, total energy = -17.71546397486331

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: -17.715464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491371887177228, total energy = -17.71546397486331

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: -17.715464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.491371901449746, total energy = -17.71546397486332

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: -17.715464
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.491371892753522, total energy = -17.715463974863315

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: -17.715464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.491371885500846, total energy = -17.715463974863308

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: -17.715464
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.491371888667345, total energy = -17.71546397486331

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: -17.715464
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4913718820549513, total energy = -17.71546397486331

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: -17.715464
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.491371887922286, total energy = -17.71546397486332

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.2547146102203355 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.4843924363647343, c = 4.091423360686726, total energy = -17.717261218122477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.4581342733591063 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.4843924367171133, c = 4.091423368282488, total energy = -17.717261218122474

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.661553936497877 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.4843924281706613, c = 4.0914233836339156, total energy = -17.717261218122477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.864973599636648 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 61
         Function evaluations: 136
Results for this minimization:
  a = 2.4843924284392704, c = 4.091423377692519, total energy = -17.717261218122477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.068393262775419 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.4843924257743506, c = 4.091423415173386, total energy = -17.717261218122477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.2718129259141895 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.4843924475750017, c = 4.091423334058161, total energy = -17.717261218122463

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.47523258905296 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.484392430886067, c = 4.091423337552144, total energy = -17.71726121812247

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.678652252191731 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.4843924321373234, c = 4.091423379047416, total energy = -17.717261218122477

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.882071915330502 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 73
         Function evaluations: 149
Results for this minimization:
  a = 2.484392441116405, c = 4.091423384674982, total energy = -17.71726121812247

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

 Final lattice Constants:
   a = 2.4843924363647343 Angstroms, c = 4.091423360686726 Angstroms, c/a = 1.646851

 Total energy: -17.717261218122477 eV

 Cohesive energy: -4.429315304530619 eV/atom

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