Element = Lattice = Model = Element: Bi
Lattice: hcp
Model: MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_000
Computed model cutoff of 5.500000007003557 Angstroms
Computed isolated atomic energy of 0.0 eV for species Bi

==============================================================================
==============================================================================
 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: -9.259814
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6212839631363805, total energy = -9.25981408458498

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: -9.259814
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.621283952146767, total energy = -9.259814084584978

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: -9.259814
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.62128396355547, total energy = -9.259814084584978

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: -9.259814
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.621283959597359, total energy = -9.259814084584978

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: -9.259814
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6212839454412507, total energy = -9.259814084584976

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: -9.259814
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.621283957920972, total energy = -9.259814084584978

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: -9.259814
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.621283963159658, total energy = -9.259814084584978

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: -9.259814
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6212839517975226, total energy = -9.259814084584976

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: -9.259814
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.621283953636888, total energy = -9.259814084584978

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: -9.259814
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6212839411571642, total energy = -9.259814084584976

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: -9.259814
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.621283965557814, total energy = -9.259814084584978

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: -9.259814
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6212839473038883, total energy = -9.259814084584976

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: -9.259814
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.621283962856978, total energy = -9.259814084584978

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: -9.259814
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6212839518324484, total energy = -9.259814084584978

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: -9.259814
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.621283950377259, total energy = -9.259814084584978

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: -9.259814
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.6212839525192972, total energy = -9.259814084584978

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: -9.259814
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.6212839542422457, total energy = -9.259814084584978

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: -9.259814
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.6212839419022202, total energy = -9.259814084584974

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: -9.259814
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.6212839576182896, total energy = -9.25981408458498

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: -9.259814
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 3.62128395633772, total energy = -9.259814084584978

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: -9.259814
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.6212839581072336, total energy = -9.259814084584978

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: -9.259814
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.6212839663960037, total energy = -9.259814084584978

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: -9.259814
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.621283966116607, total energy = -9.259814084584978

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: -9.259814
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.6212839604355396, total energy = -9.259814084584978

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: -9.259814
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.6212839603424065, total energy = -9.259814084584976

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: -9.259814
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.621283943206073, total energy = -9.259814084584972

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: -9.259814
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.6212839536252424, total energy = -9.259814084584976

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: -9.259814
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6212839510990307, total energy = -9.259814084584974

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: -9.259814
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.6212839479558134, total energy = -9.259814084584978

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: -9.259814
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6212839672807595, total energy = -9.259814084584981

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: -9.259814
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6212839548243214, total energy = -9.259814084584978

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: -9.259814
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6212839480082026, total energy = -9.259814084584978

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: -9.259814
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.62128396355547, total energy = -9.259814084584976

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: -9.259814
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6212839643034354, total energy = -9.259814084584974

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: -9.259814
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.621283947676419, total energy = -9.259814084584978

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: -9.259814
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6212839611485843, total energy = -9.25981408458498

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: -9.259814
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6212839514017077, total energy = -9.25981408458498

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: -9.259814
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6212839542422444, total energy = -9.259814084584978

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 4.730825564565011 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 3.5825042189594325, c = 6.046306299770719, total energy = -9.262013944119007

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 5.026502162350324 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 80
         Function evaluations: 168
Results for this minimization:
  a = 3.582504258372813, c = 6.046306178029269, total energy = -9.26201394411901

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 5.322178760135637 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.582504217807792, c = 6.046306266633277, total energy = -9.262013944119007

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 5.61785535792095 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.5825042653876844, c = 6.046306117177552, total energy = -9.26201394411901

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 5.913531955706263 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 3.582504289980231, c = 6.046306054636123, total energy = -9.262013944119008

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 6.209208553491576 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 73
         Function evaluations: 162
Results for this minimization:
  a = 3.5825042568409904, c = 6.0463061600318255, total energy = -9.262013944119012

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 6.5048851512768895 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 74
         Function evaluations: 163
Results for this minimization:
  a = 3.582504263784095, c = 6.046306150573811, total energy = -9.262013944119008

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 6.800561749062203 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.58250427980295, c = 6.046306071243503, total energy = -9.262013944119012

Attempting to perform relaxation using initial lattice constant guess of a = [3.62128397] Angstroms and c = 7.096238346847516 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.262014
         Iterations: 80
         Function evaluations: 165
Results for this minimization:
  a = 3.5825042644441862, c = 6.046306183557182, total energy = -9.26201394411901

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

 Final lattice Constants:
   a = 3.5825042568409904 Angstroms, c = 6.0463061600318255 Angstroms, c/a = 1.687732

 Total energy: -9.262013944119012 eV

 Cohesive energy: -2.315503486029753 eV/atom

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