Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
Computed model cutoff of 5.168000000119227 Angstroms
Computed isolated atomic energy of 0.0 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: -17.708177
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.490905833244327, total energy = -17.70817712057111

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: -17.708177
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4909058079123496, total energy = -17.70817712057114

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: -17.708177
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4909057933837175, total energy = -17.708177120571108

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: -17.708177
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4909058250486904, total energy = -17.708177120571097

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: -17.708177
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.490905807912352, total energy = -17.708177120571133

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: -17.708177
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4909058277262393, total energy = -17.708177120571097

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: -17.708177
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.490905785933137, total energy = -17.708177120571094

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: -17.708177
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.490905810147524, total energy = -17.7081771205711

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: -17.708177
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4909058332443252, total energy = -17.708177120571097

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: -17.708177
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4909057756187405, total energy = -17.708177120571065

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: -17.708177
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.4909058079123505, total energy = -17.70817712057112

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: -17.708177
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4909058124932932, total energy = -17.708177120571104

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: -17.708177
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4909057933837175, total energy = -17.7081771205711

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: -17.708177
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4909058027609707, total energy = -17.708177120571115

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: -17.708177
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.4909058332443235, total energy = -17.708177120571097

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: -17.708177
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4909057923126956, total energy = -17.7081771205711

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: -17.708177
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4909058135002837, total energy = -17.70817712057111

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: -17.708177
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.490905791055411, total energy = -17.70817712057111

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: -17.708177
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.490905828028917, total energy = -17.708177120571094

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: -17.708177
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490905791148543, total energy = -17.708177120571108

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: -17.708177
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.490905835560988, total energy = -17.708177120571094

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: -17.708177
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4909058026620166, total energy = -17.708177120571108

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: -17.708177
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4909058017656207, total energy = -17.70817712057112

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: -17.708177
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.490905817504968, total energy = -17.708177120571094

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: -17.708177
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4909058005549, total energy = -17.708177120571122

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: -17.708177
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.490905798316818, total energy = -17.708177120571126

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: -17.708177
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4909057752229247, total energy = -17.708177120571058

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: -17.708177
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4909058218399878, total energy = -17.7081771205711

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: -17.708177
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.490905779413874, total energy = -17.708177120571065

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: -17.708177
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.490905809961258, total energy = -17.708177120571094

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: -17.708177
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.490905797341841, total energy = -17.708177120571104

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: -17.708177
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4909058135002815, total energy = -17.708177120571108

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: -17.708177
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4909057933837175, total energy = -17.70817712057108

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: -17.708177
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.4909058171091547, total energy = -17.708177120571097

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: -17.708177
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.490905810706315, total energy = -17.70817712057109

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 3.2541057209175177 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.4819661431032896, c = 4.104360756394085, total energy = -17.711463252324027

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 3.4574873284748624 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.481966159374093, c = 4.104360679637739, total energy = -17.711463252324034

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 3.660868936032207 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.481966148507704, c = 4.104360711783371, total energy = -17.71146325232404

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 3.864250543589552 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.4819661317160424, c = 4.104360731851058, total energy = -17.711463252324027

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 4.0676321511468965 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 67
         Function evaluations: 140
Results for this minimization:
  a = 2.481966155195988, c = 4.104360681862964, total energy = -17.711463252324027

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 4.271013758704241 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.481966163642356, c = 4.104360724665969, total energy = -17.71146325232403

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 4.474395366261586 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.4819661363392016, c = 4.104360757523776, total energy = -17.711463252324037

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 4.677776973818931 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.48196614796972, c = 4.104360707856831, total energy = -17.711463252324037

Attempting to perform relaxation using initial lattice constant guess of a = [2.49090581] Angstroms and c = 4.881158581376275 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.711463
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.4819661347262043, c = 4.104360683374442, total energy = -17.71146325232402

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

 Final lattice Constants:
   a = 2.481966148507704 Angstroms, c = 4.104360711783371 Angstroms, c/a = 1.653673

 Total energy: -17.71146325232404 eV

 Cohesive energy: -4.42786581308101 eV/atom

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