Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
Computed model cutoff of 4.599999955035776 Angstroms
Computed isolated atomic energy of -2.9316630667650165 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: -11.360724
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.50030521154404, total energy = -11.360723692657233

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: -11.360724
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5003052106359975, total energy = -11.360723692657233

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: -11.360724
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5003052175743505, total energy = -11.360723692657237

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: -11.360724
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5003052104264536, total energy = -11.360723692657237

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: -11.360724
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5003052115440396, total energy = -11.36072369265723

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: -11.360724
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5003052210435284, total energy = -11.36072369265723

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: -11.360724
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.500305223464966, total energy = -11.360723692657226

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: -11.360724
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5003052107058465, total energy = -11.360723692657233

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: -11.360724
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5003052219748514, total energy = -11.360723692657233

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: -11.360724
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.500305208936334, total energy = -11.360723692657226

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: -11.360724
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.5003052238374956, total energy = -11.360723692657226

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: -11.360724
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.500305217131972, total energy = -11.360723692657233

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: -11.360724
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5003052242682315, total energy = -11.36072369265723

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: -11.360724
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.50030521042645, total energy = -11.360723692657233

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: -11.360724
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5003052104264483, total energy = -11.36072369265723

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: -11.360724
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5003052104264487, total energy = -11.360723692657226

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: -11.360724
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.500305215734987, total energy = -11.36072369265723

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: -11.360724
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5003052270039916, total energy = -11.360723692657226

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: -11.360724
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.50030521408189, total energy = -11.36072369265723

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: -11.360724
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5003052174462943, total energy = -11.36072369265723

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: -11.360724
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.500305213034152, total energy = -11.360723692657226

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: -11.360724
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.500305213453246, total energy = -11.36072369265723

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: -11.360724
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.500305217690766, total energy = -11.360723692657226

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: 35
         Function evaluations: 101
Results for this minimization:
  a = 4.843750000000001, 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: 34
         Function evaluations: 99
Results for this minimization:
  a = 4.600000000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 4.743749999999999, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 96
Results for this minimization:
  a = 4.675000000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 4.8125, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 4.7250000000000005, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 4.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 3.2663850582803384 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.4867603222181303, c = 4.121531557037683, total energy = -11.366715857448552

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 3.4705341244228594 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.486760307035974, c = 4.1215315142908, total energy = -11.366715857448542

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 3.6746831905653803 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.486760314191201, c = 4.1215315597658675, total energy = -11.366715857448549

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 3.878832256707901 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.486760314271496, c = 4.1215315655622184, total energy = -11.366715857448549

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 4.082981322850422 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.4867603100631914, c = 4.121531572497164, total energy = -11.366715857448549

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 4.287130388992943 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.4867603090160664, c = 4.121531579457621, total energy = -11.366715857448552

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 4.491279455135464 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.486760313872531, c = 4.121531554936512, total energy = -11.366715857448549

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 4.695428521277985 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.4867603134879177, c = 4.121531573000649, total energy = -11.366715857448552

Attempting to perform relaxation using initial lattice constant guess of a = [2.50030522] Angstroms and c = 4.899577587420506 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.366716
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.486760322664391, c = 4.1215315469211, total energy = -11.366715857448552

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

 Final lattice Constants:
   a = 2.4867603222181303 Angstroms, c = 4.121531557037683 Angstroms, c/a = 1.657390

 Total energy: -11.366715857448552 eV

 Cohesive energy: -2.841678964362138 eV/atom

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