Element = Lattice = Model = Element: Mo
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_000
Computed model cutoff of 4.5000000042096095 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mo

==============================================================================
==============================================================================
 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: -26.749947
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.810415151715283, total energy = -26.74994650958789

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: -26.749947
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.810415162413847, total energy = -26.7499465095879

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: -26.749947
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8104151487350464, total energy = -26.74994650958789

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: -26.749947
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.810415154322988, total energy = -26.749946509587897

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: -26.749947
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8104151679668603, total energy = -26.749946509587893

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: -26.749947
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.810415156162346, total energy = -26.749946509587907

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: -26.749947
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8104151586303496, total energy = -26.74994650958789

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: -26.749947
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.81041516084224, total energy = -26.74994650958789

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: -26.749947
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.810415171459319, total energy = -26.749946509587893

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: -26.749947
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.810415169224145, total energy = -26.749946509587893

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: -26.749947
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151727864526, total energy = -26.749946509587886

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: -26.749947
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.810415154267684, total energy = -26.74994650958791

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: -26.749947
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151487350464, total energy = -26.749946509587886

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: -26.749947
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.810415143799037, total energy = -26.749946509587904

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: -26.749947
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8104151522740723, total energy = -26.74994650958789

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: -26.749947
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8104151700506907, total energy = -26.749946509587893

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: -26.749947
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8104151681065552, total energy = -26.74994650958789

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: -26.749947
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.810415169224143, total energy = -26.749946509587893

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: -26.749947
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151561623443, total energy = -26.749946509587893

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: -26.749947
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151678620832, total energy = -26.74994650958789

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: -26.749947
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.810415151785128, total energy = -26.749946509587893

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: -26.749947
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151565581534, total energy = -26.749946509587897

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: -26.749947
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.810415169224143, total energy = -26.749946509587897

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: -26.749947
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.810415149945763, total energy = -26.74994650958789

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: -26.749947
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.810415153205395, total energy = -26.749946509587897

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: -26.749947
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8104151626146643, total energy = -26.74994650958789

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: -26.749947
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8104151597246507, total energy = -26.749946509587893

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: -26.749947
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.810415156185627, total energy = -26.749946509587883

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: -26.749947
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8104151658713787, total energy = -26.749946509587897

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: -26.749947
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.81041517028352, total energy = -26.749946509587883

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 3.6715109831152506 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.8352566008864475, c = 4.510433554005043, total energy = -26.76024229794111

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 3.9009804195599536 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.8352565797644385, c = 4.5104335737289, total energy = -26.760242297941105

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 4.130449856004656 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.8352565902113263, c = 4.510433563091851, total energy = -26.760242297941105

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 4.3599192924493595 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.835256599783137, c = 4.510433535315811, total energy = -26.760242297941105

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 4.589388728894063 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.835256604851091, c = 4.5104335744936535, total energy = -26.760242297941108

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 4.818858165338765 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.835256581642559, c = 4.510433574325754, total energy = -26.760242297941108

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 5.048327601783468 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.8352565572544224, c = 4.510433593624713, total energy = -26.760242297941097

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 5.277797038228171 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.835256581223515, c = 4.510433578229247, total energy = -26.76024229794111

Attempting to perform relaxation using initial lattice constant guess of a = [2.81041515] Angstroms and c = 5.507266474672875 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.760242
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 2.8352565776243965, c = 4.5104335906119815, total energy = -26.760242297941115

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

 Final lattice Constants:
   a = 2.8352565776243965 Angstroms, c = 4.5104335906119815 Angstroms, c/a = 1.590838

 Total energy: -26.760242297941115 eV

 Cohesive energy: -6.690060574485279 eV/atom

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