Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_001
Computed model cutoff of 4.5000000042096095 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: -14.103286
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5560664027929336, total energy = -14.103286494666754

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: -14.103286
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5560664029791953, total energy = -14.103286494666749

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: -14.103286
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.556066397577524, total energy = -14.103286494666753

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: -14.103286
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5560663975775295, total energy = -14.103286494666749

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: -14.103286
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5560664057731657, total energy = -14.10328649466675

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: -14.103286
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.556066397018733, total energy = -14.103286494666754

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: -14.103286
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5560663957148804, total energy = -14.103286494666749

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: -14.103286
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5560663887299597, total energy = -14.103286494666749

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: -14.103286
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.556066398322584, total energy = -14.10328649466675

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: -14.103286
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.556066387146713, total energy = -14.103286494666746

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: -14.103286
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5560664042364802, total energy = -14.10328649466675

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: -14.103286
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.556066397577524, total energy = -14.103286494666753

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: -14.103286
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5560663958312944, total energy = -14.10328649466675

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: -14.103286
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5560663962038244, total energy = -14.103286494666749

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: -14.103286
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.556066393479705, total energy = -14.103286494666754

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: -14.103286
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5560663996497164, total energy = -14.10328649466675

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: -14.103286
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.556066405773162, total energy = -14.103286494666746

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: -14.103286
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.55606639693724, total energy = -14.10328649466675

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: -14.103286
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5560663939919324, total energy = -14.103286494666753

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: -14.103286
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.556066400045528, total energy = -14.10328649466675

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: -14.103286
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5560663937591013, total energy = -14.103286494666749

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: -14.103286
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5560664018616057, total energy = -14.10328649466675

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: -14.103286
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5560663901269436, total energy = -14.103286494666746

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: -14.103286
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.556066396104867, total energy = -14.103286494666749

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: -14.103286
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5560663938522326, total energy = -14.10328649466675

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: -14.103286
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.556066399722478, total energy = -14.103286494666747

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: -14.103286
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5560663966461994, total energy = -14.10328649466675

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: -14.103286
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.55606639724283, total energy = -14.10328649466675

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: -14.103286
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5560663912445265, total energy = -14.10328649466675

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: -14.103286
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.556066395396191, total energy = -14.103286494666753

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 3.3392311656074596 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.545523314957335, c = 4.209165315519948, total energy = -14.105224329097558

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 3.5479331134579257 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.545523309613606, c = 4.209165333290309, total energy = -14.105224329097556

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 3.756635061308392 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.5455233186463087, c = 4.2091653633934945, total energy = -14.10522432909755

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 3.965337009158858 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.545523306885545, c = 4.20916534274005, total energy = -14.105224329097553

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 4.174038957009325 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.545523314544271, c = 4.209165322879577, total energy = -14.105224329097554

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 4.382740904859791 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.545523314077771, c = 4.209165324408711, total energy = -14.105224329097554

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 4.591442852710257 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.5455233199245226, c = 4.209165303646918, total energy = -14.105224329097554

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 4.800144800560723 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.545523324350625, c = 4.209165304944569, total energy = -14.105224329097556

Attempting to perform relaxation using initial lattice constant guess of a = [2.5560664] Angstroms and c = 5.008846748411189 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.105224
         Iterations: 77
         Function evaluations: 167
Results for this minimization:
  a = 2.545523312514832, c = 4.209165332351357, total energy = -14.105224329097558

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

 Final lattice Constants:
   a = 2.545523314957335 Angstroms, c = 4.209165315519948 Angstroms, c/a = 1.653556

 Total energy: -14.105224329097558 eV

 Cohesive energy: -3.5263060822743895 eV/atom

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