Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SNAP_ZuoChenLi_2019_Si__MO_869330304805_000
Computed model cutoff of 4.89999990306797 Angstroms
Computed isolated atomic energy of -3.163244844918224 eV for species Si

==============================================================================
==============================================================================
 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: -7.215210
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.689533174037937, total energy = -7.215209948684905

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: -7.215210
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.689533175528049, total energy = -7.215209948684905

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: -7.215210
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.6895331852138042, total energy = -7.215209948684908

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: -7.215210
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.689533192664391, total energy = -7.215209948684905

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: -7.215210
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.6895331956446196, total energy = -7.215209948684905

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: -7.215210
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.689533170312645, total energy = -7.215209948684901

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: -7.215210
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6895331846550103, total energy = -7.215209948684905

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: -7.215210
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.689533184748143, total energy = -7.215209948684912

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: -7.215210
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6895331792533415, total energy = -7.215209948684912

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: -7.215210
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.689533180370927, total energy = -7.215209948684905

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: -7.215210
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.68953317552805, total energy = -7.215209948684905

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: -7.215210
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.6895331885665654, total energy = -7.215209948684905

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: -7.215210
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.689533174270764, total energy = -7.215209948684905

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: -7.215210
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.6895331833511587, total energy = -7.215209948684905

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: -7.215210
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.6895331880543383, total energy = -7.215209948684912

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: -7.215210
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.6895331852138047, total energy = -7.215209948684905

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: -7.215210
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6895331799983966, total energy = -7.215209948684908

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: -7.215210
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.689533196389675, total energy = -7.215209948684901

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: -7.215210
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.689533181209118, total energy = -7.215209948684905

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: -7.215210
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6895331813953804, total energy = -7.215209948684905

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: -7.215210
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6895331833511573, total energy = -7.215209948684905

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: -7.215210
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.689533182303419, total energy = -7.215209948684905

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: -7.215210
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6895331973209977, total energy = -7.215209948684901

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: -7.215210
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6895331875857638, total energy = -7.215209948684901

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: -7.215210
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.689533179998397, total energy = -7.215209948684905

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: 35
         Function evaluations: 101
Results for this minimization:
  a = 5.156249999999997, 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: 35
         Function evaluations: 101
Results for this minimization:
  a = 5.312500000000002, 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: 35
         Function evaluations: 102
Results for this minimization:
  a = 5.03125, 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: 34
         Function evaluations: 99
Results for this minimization:
  a = 4.950000000000001, 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: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.0875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 4.9875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.11875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.0, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 3.513591439421627 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.6270736322357173, c = 4.628869913991498, total energy = -7.3079977350946805

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 3.7331909043854785 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.6270736410818607, c = 4.6288699198102226, total energy = -7.3079977350946805

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 3.95279036934933 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.6270736393669027, c = 4.628869893667865, total energy = -7.307997735094677

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 4.172389834313181 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.6270736356948534, c = 4.628869894691402, total energy = -7.307997735094684

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 4.391989299277033 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 2.6270736448453573, c = 4.62886991026226, total energy = -7.307997735094677

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 4.611588764240885 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.627073633983981, c = 4.628869897194221, total energy = -7.307997735094677

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 4.831188229204736 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.627073628021937, c = 4.628869912878761, total energy = -7.307997735094677

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 5.050787694168587 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.627073636152955, c = 4.628869898826178, total energy = -7.307997735094677

Attempting to perform relaxation using initial lattice constant guess of a = [2.68953318] Angstroms and c = 5.270387159132439 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.307998
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.6270736494837053, c = 4.62886992369464, total energy = -7.307997735094677

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

 Final lattice Constants:
   a = 2.6270736356948534 Angstroms, c = 4.628869894691402 Angstroms, c/a = 1.761987

 Total energy: -7.307997735094684 eV

 Cohesive energy: -1.826999433773671 eV/atom

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