Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_003
Computed model cutoff of 3.299999991878882 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pt

==============================================================================
==============================================================================
 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: -23.134911
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.769316387176517, total energy = -23.134910752429096

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: -23.134911
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7693163946270936, total energy = -23.1349107524291

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: -23.134911
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.769316394813359, total energy = -23.134910752429096

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: -23.134911
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.769316399097449, total energy = -23.1349107524291

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: -23.134911
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.769316390086899, total energy = -23.13491075242909

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: -23.134911
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.769316402892585, total energy = -23.134910752429096

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: -23.134911
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.769316396303476, total energy = -23.134910752429104

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: -23.134911
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.769316390505992, total energy = -23.134910752429096

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: -23.134911
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7693163983523856, total energy = -23.134910752429104

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: -23.134911
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.769316407130102, total energy = -23.1349107524291

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: -23.134911
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.769316401227843, total energy = -23.1349107524291

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: -23.134911
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7693163911637377, total energy = -23.13491075242909

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: -23.134911
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7693163976073265, total energy = -23.134910752429096

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: -23.134911
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.769316409016029, total energy = -23.134910752429093

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: -23.134911
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.769316390901804, total energy = -23.134910752429093

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: -23.134911
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.76931640477851, total energy = -23.134910752429096

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: -23.134911
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7693164035677897, total energy = -23.134910752429093

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: -23.134911
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7693164069205523, total energy = -23.134910752429096

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: -23.134911
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.769316389877349, total energy = -23.1349107524291

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: -23.134911
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.769316396146314, total energy = -23.1349107524291

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 3.617819790542208 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.7804428819759006, c = 4.486639498096334, total energy = -23.137861996558378

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 3.843933527451096 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 2.7804429000063675, c = 4.486639433727203, total energy = -23.13786199655837

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 4.070047264359983 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.780442891769255, c = 4.486639494228612, total energy = -23.137861996558378

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 4.296161001268872 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.780442892102059, c = 4.486639490138721, total energy = -23.13786199655838

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 4.52227473817776 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.7804429035567573, c = 4.486639435806277, total energy = -23.13786199655838

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 4.748388475086648 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.780442895187237, c = 4.486639473350577, total energy = -23.137861996558378

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 4.974502211995535 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 79
         Function evaluations: 166
Results for this minimization:
  a = 2.7804428978027067, c = 4.486639429179858, total energy = -23.137861996558367

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 5.2006159489044235 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.780442899660623, c = 4.486639454739022, total energy = -23.13786199655837

Attempting to perform relaxation using initial lattice constant guess of a = [2.7693164] Angstroms and c = 5.426729685813312 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.137862
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 2.780442896821103, c = 4.486639495786036, total energy = -23.137861996558378

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

 Final lattice Constants:
   a = 2.780442892102059 Angstroms, c = 4.486639490138721 Angstroms, c/a = 1.613642

 Total energy: -23.13786199655838 eV

 Cohesive energy: -5.784465499139595 eV/atom

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