Element = Lattice = Model = Element: Li
Lattice: hcp
Model: SNAP_ZuoChenLi_2019quadratic_Li__MO_041269750353_000
Computed model cutoff of 5.099999965503831 Angstroms
Computed isolated atomic energy of -1.3484496622824804 eV for species Li

==============================================================================
==============================================================================
 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: -2.225214
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.0200579419732128, total energy = -2.225214139077859

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: -2.225214
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.020057900715619, total energy = -2.225214139077872

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: -2.225214
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.0200578896328807, total energy = -2.225214139077867

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: -2.225214
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.020057923346765, total energy = -2.2252141390778686

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: -2.225214
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.0200579211115866, total energy = -2.225214139077867

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: -2.225214
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.0200579442083857, total energy = -2.225214139077856

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: -2.225214
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.020057896152138, total energy = -2.225214139077874

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: -2.225214
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0200579138472676, total energy = -2.2252141390778695

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: -2.225214
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0200579211115866, total energy = -2.2252141390778712

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: -2.225214
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0200578967109344, total energy = -2.2252141390778766

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: -2.225214
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.020057921879926, total energy = -2.2252141390778766

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: -2.225214
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.020057914592324, total energy = -2.225214139077875

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: -2.225214
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.0200578896328807, total energy = -2.2252141390778704

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: -2.225214
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.020057898515371, total energy = -2.2252141390778704

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: -2.225214
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.02005789683899, total energy = -2.2252141390778695

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: -2.225214
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.020057929793257, total energy = -2.225214139077867

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: -2.225214
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.0200578824151307, total energy = -2.225214139077865

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: -2.225214
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.0200579145457596, total energy = -2.225214139077867

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: -2.225214
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.0200579006224872, total energy = -2.225214139077865

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: -2.225214
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.020057899877429, total energy = -2.225214139077867

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: -2.225214
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.0200578767573445, total energy = -2.2252141390778606

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: -2.225214
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.020057883858679, total energy = -2.225214139077873

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: -2.225214
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0200579145457596, total energy = -2.2252141390778615

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: -2.225214
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.0200579337775686, total energy = -2.225214139077865

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: -2.225214
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.0200579163618366, total energy = -2.225214139077865

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: -2.225214
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.0200579248834414, total energy = -2.2252141390778677

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: -2.225214
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.0200578935444335, total energy = -2.2252141390778704

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: -2.225214
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0200578960502753, total energy = -2.2252141390778686

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: -2.225214
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.020057913393244, total energy = -2.225214139077864

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: -2.225214
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.020057921065016, total energy = -2.2252141390778686

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: -2.225214
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0200579323980503, total energy = -2.225214139077867

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: -2.225214
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.020057889971937, total energy = -2.225214139077865

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: -2.225214
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.0200578859075904, total energy = -2.2252141390778695

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: -2.225214
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.020057897735383, total energy = -2.225214139077872

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 3.945387114989212 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 81
         Function evaluations: 168
Results for this minimization:
  a = 3.037791878412307, c = 4.860500762566255, total energy = -2.227541117708217

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 4.191973809676038 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 3.0377918439683667, c = 4.860500760800365, total energy = -2.227541117708216

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 4.438560504362864 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.0377918515639006, c = 4.86050069313096, total energy = -2.227541117708215

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 4.68514719904969 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 3.0377918623117095, c = 4.860500754051483, total energy = -2.227541117708215

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 4.931733893736516 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 3.0377918722011907, c = 4.860500798389355, total energy = -2.2275411177082143

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 5.178320588423342 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.037791847676659, c = 4.860500777819852, total energy = -2.227541117708216

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 5.424907283110168 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.0377918651441433, c = 4.860500713196267, total energy = -2.2275411177082187

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 5.671493977796994 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.0377918309951975, c = 4.860500829218692, total energy = -2.227541117708215

Attempting to perform relaxation using initial lattice constant guess of a = [3.0200579] Angstroms and c = 5.91808067248382 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -2.227541
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 3.037791864404313, c = 4.860500763604522, total energy = -2.2275411177082143

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

 Final lattice Constants:
   a = 3.0377918651441433 Angstroms, c = 4.860500713196267 Angstroms, c/a = 1.600011

 Total energy: -2.2275411177082187 eV

 Cohesive energy: -0.5568852794270547 eV/atom

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