Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: SNAP_LiHuChen_2018_Ni__MO_913991514986_000
Computed model cutoff of 3.8999997609853767 Angstroms
Computed isolated atomic energy of -3.334801443581952 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: -9.881040
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.498407360911373, total energy = -9.881040036445086

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: -9.881040
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4984073699568397, total energy = -9.88104003644509

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: -9.881040
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.498407367558684, total energy = -9.88104003644509

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: -9.881040
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.498407375067477, total energy = -9.881040036445086

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: -9.881040
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.498407360631975, total energy = -9.881040036445093

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: -9.881040
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.498407362774016, total energy = -9.881040036445093

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: -9.881040
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4984073628205796, total energy = -9.881040036445093

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: -9.881040
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4984073623782024, total energy = -9.881040036445086

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: -9.881040
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.498407363891603, total energy = -9.881040036445093

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: -9.881040
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.4984073722735056, total energy = -9.881040036445086

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: -9.881040
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.498407366499306, total energy = -9.881040036445086

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: -9.881040
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.49840737186605, total energy = -9.881040036445093

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: -9.881040
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.498407366743777, total energy = -9.88104003644509

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: -9.881040
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.498407370969653, total energy = -9.881040036445086

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: -9.881040
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.498407370969652, total energy = -9.881040036445086

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: -9.881040
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.498407371994107, total energy = -9.881040036445086

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: -9.881040
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.498407367896287, total energy = -9.881040036445093

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: -9.881040
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4984073686937336, total energy = -9.88104003644509

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: -9.881040
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4984073670115317, total energy = -9.881040036445086

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: -9.881040
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4984073748812077, total energy = -9.881040036445086

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: -9.881040
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4984073683619483, total energy = -9.881040036445086

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: -9.881040
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4984073732543015, total energy = -9.881040036445093

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: 0.000000
         Iterations: 32
         Function evaluations: 94
Results for this minimization:
  a = 3.9375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 94
Results for this minimization:
  a = 4.0687500000000005, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 4.0, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 3.263905708353075 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.4965115700538574, c = 4.085348338458603, total energy = -9.88115609224458

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 3.4678998151251426 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.4965115404718574, c = 4.085348373096226, total energy = -9.881156092244591

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 3.67189392189721 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.496511541054855, c = 4.085348357882596, total energy = -9.881156092244584

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 3.8758880286692774 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.4965115462074263, c = 4.085348376438772, total energy = -9.88115609224458

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 4.079882135441345 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.4965115568023477, c = 4.085348336022953, total energy = -9.881156092244584

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 4.283876242213412 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.4965115493118395, c = 4.0853483549741565, total energy = -9.881156092244584

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 4.48787034898548 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 75
         Function evaluations: 151
Results for this minimization:
  a = 2.496511544158145, c = 4.085348356924212, total energy = -9.88115609224458

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 4.691864455757547 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.496511553917297, c = 4.085348354694395, total energy = -9.881156092244584

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 4.8958585625296145 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 75
         Function evaluations: 164
Results for this minimization:
  a = 2.4965115474746193, c = 4.085348375025868, total energy = -9.881156092244588

Attempting to perform relaxation using initial lattice constant guess of a = [2.49840736] Angstroms and c = 5.099852669301682 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.881156
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.4965115404391165, c = 4.0853483825791574, total energy = -9.881156092244588

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

 Final lattice Constants:
   a = 2.4965115404718574 Angstroms, c = 4.085348373096226 Angstroms, c/a = 1.636423

 Total energy: -9.881156092244591 eV

 Cohesive energy: -2.470289023061148 eV/atom

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