Element = Lattice = Model = Element: Bi
Lattice: hcp
Model: MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_001
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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [3.62128397] Angstroms, c = [5.91353196] Angstroms, c/a = 1.632993

 Total energy: -9.259814084584981 eV

 Cohesive energy: -2.3149535211462453 eV/atom

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