Element = Lattice = Model = Element: Au
Lattice: hcp
Model: Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000
Computed model cutoff of 6.1961461409554275 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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: -15.615573
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9067107677459756, total energy = -15.615573349415868

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: -15.615573
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.906710767745971, total energy = -15.615573349415863

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: -15.615573
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9067107122391462, total energy = -15.615573349415847

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: -15.615573
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9067107429727974, total energy = -15.61557334941587

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: -15.615573
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.9067107677459743, total energy = -15.61557334941586

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: -15.615573
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9067107282578952, total energy = -15.615573349415849

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: -15.615573
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.906710740923882, total energy = -15.615573349415858

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: -15.615573
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9067107142764144, total energy = -15.615573349415842

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: -15.615573
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9067107677459747, total energy = -15.61557334941585

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: -15.615573
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.906710761040451, total energy = -15.61557334941584

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: -15.615573
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9067107405047867, total energy = -15.615573349415843

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: -15.615573
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.9067107081413255, total energy = -15.615573349415834

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: -15.615573
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9067107141017914, total energy = -15.61557334941583

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: -15.615573
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9067107408016457, total energy = -15.61557334941584

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: -15.615573
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9067107450217016, total energy = -15.615573349415843

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: -15.615573
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.906710755941459, total energy = -15.615573349415834

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: -15.615573
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.9067107677459707, total energy = -15.615573349415833

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: -15.615573
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.906710747629404, total energy = -15.615573349415842

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: -15.615573
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9067107379436488, total energy = -15.615573349415838

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: -15.615573
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.906710757687687, total energy = -15.61557334941584

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: -15.615573
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9067107415758073, total energy = -15.615573349415838

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: -15.615573
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.906710749678312, total energy = -15.615573349415838

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: -15.615573
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9067107142764144, total energy = -15.615573349415833

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: -15.615573
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9067107588722125, total energy = -15.615573349415838

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: -15.615573
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.906710764765739, total energy = -15.615573349415834

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: -15.615573
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.906710740923883, total energy = -15.615573349415836

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: -15.615573
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9067107554990783, total energy = -15.615573349415834

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: -15.615573
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9067107187584043, total energy = -15.615573349415829

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: -15.615573
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.90671077445149, total energy = -15.615573349415838

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: -15.615573
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.906710733356883, total energy = -15.615573349415834

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: -15.615573
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9067107789218447, total energy = -15.615573349415836

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: -15.615573
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9067107476294014, total energy = -15.61557334941584

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: -15.615573
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.906710710376501, total energy = -15.615573349415829

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: -15.615573
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9067107237875422, total energy = -15.61557334941583

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.615573
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9067107722163184, total energy = -15.61557334941584

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.615573
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.906710739433767, total energy = -15.615573349415838

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.615573
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.906710739899424, total energy = -15.615573349415843

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.615573
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9067107308655977, total energy = -15.615573349415838

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.615573
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 2.906710732646747, total energy = -15.615573349415849

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.615573
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9067106969654546, total energy = -15.615573349415824

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 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 = 6.300000000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 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 = 6.43125, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 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 = 6.25, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 3.797311013413087 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.949497320923949, c = 4.661917727567717, total energy = -15.625432074599994

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 4.0346429517514055 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 2.949497362502113, c = 4.661917642956055, total energy = -15.625432074599992

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 4.271974890089724 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.949497327958259, c = 4.661917626434998, total energy = -15.6254320746

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 4.509306828428042 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.9494973057011498, c = 4.661917711380509, total energy = -15.625432074599988

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 4.7466387667663605 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.9494973653921033, c = 4.6619176944862915, total energy = -15.625432074599988

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 4.983970705104679 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.949497361476842, c = 4.661917634637817, total energy = -15.625432074599994

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 5.221302643442997 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.949497337276185, c = 4.6619176603849155, total energy = -15.625432074599996

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 5.4586345817813156 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.9494973341868773, c = 4.66191762382781, total energy = -15.625432074599994

Attempting to perform relaxation using initial lattice constant guess of a = [2.90671074] Angstroms and c = 5.695966520119634 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.625432
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.949497383857321, c = 4.661917634444709, total energy = -15.6254320746

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

 Final lattice Constants:
   a = 2.949497327958259 Angstroms, c = 4.661917626434998 Angstroms, c/a = 1.580580

 Total energy: -15.6254320746 eV

 Cohesive energy: -3.90635801865 eV/atom

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