Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005
Computed model cutoff of 7.499299913644801 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mg

==============================================================================
==============================================================================
 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: -6.114650
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.181261372473096, total energy = -6.114650294677473

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: -6.114650
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.181261372379958, total energy = -6.114650294677455

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: -6.114650
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.1812613905058242, total energy = -6.114650294677475

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: -6.114650
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1812613576650692, total energy = -6.11465029467747

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: -6.114650
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.181261396966879, total energy = -6.114650294677482

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: -6.114650
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1812614139169466, total energy = -6.114650294677447

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: -6.114650
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.1812613696791234, total energy = -6.114650294677474

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: -6.114650
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1812614277005196, total energy = -6.114650294677431

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: -6.114650
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.181261391099546, total energy = -6.114650294677468

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: -6.114650
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1812614155933274, total energy = -6.114650294677455

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: -6.114650
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1812613725895065, total energy = -6.114650294677452

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: -6.114650
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.18126140963286, total energy = -6.114650294677432

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: -6.114650
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.181261390564032, total energy = -6.114650294677468

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: -6.114650
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.181261427700521, total energy = -6.114650294677429

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: -6.114650
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1812613886548218, total energy = -6.114650294677485

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: -6.114650
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1812613676302144, total energy = -6.114650294677455

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: -6.114650
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.181261352822186, total energy = -6.1146502946774515

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: -6.114650
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.181261339923367, total energy = -6.114650294677458

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: -6.114650
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.1812614090740676, total energy = -6.114650294677444

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: -6.114650
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.181261382019146, total energy = -6.1146502946774355

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: -6.114650
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1812613162212076, total energy = -6.114650294677398

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: -6.114650
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1812613755464545, total energy = -6.114650294677432

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: -6.114650
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1812614277005196, total energy = -6.114650294677432

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: -6.114650
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.181261366978285, total energy = -6.114650294677445

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: -6.114650
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.1812614452093837, total energy = -6.114650294677429

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: -6.114650
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.18126137405634, total energy = -6.114650294677435

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: -6.114650
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.181261431425808, total energy = -6.114650294677438

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: -6.114650
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.18126137717627, total energy = -6.114650294677448

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: -6.114650
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1812613824382394, total energy = -6.11465029467747

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: -6.114650
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1812614324895536, total energy = -6.114650294677443

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: -6.114650
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.181261307001115, total energy = -6.114650294677407

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: -6.114650
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.181261382494992, total energy = -6.114650294677473

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: -6.114650
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1812613904476166, total energy = -6.114650294677451

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: -6.114650
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.181261388305571, total energy = -6.114650294677458

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: -6.114650
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.1812614278227542, total energy = -6.11465029467743

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: -6.114650
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.181261364714011, total energy = -6.114650294677449

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: -0.373191
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.787858383357527, total energy = -0.3731913544445586

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: -0.373191
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.787858390016481, total energy = -0.37319135444455886

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.373191
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 5.787858396442607, total energy = -0.3731913544445588

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.373191
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 5.787858392810449, total energy = -0.37319135444455864

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.114650
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.18126135002821, total energy = -6.114650294677447

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.373191
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.787858391879126, total energy = -0.3731913544445589

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.114650
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.181261344871018, total energy = -6.114650294677422

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.114650
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1812613855858203, total energy = -6.114650294677445

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.114650
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.181261399388308, total energy = -6.114650294677453

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.114650
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.181261375392198, total energy = -6.114650294677438

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.114650
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1812613806832775, total energy = -6.114650294677459

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.5625, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.700000000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.8375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.612500000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.74375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.000000
         Iterations: 52
         Function evaluations: 114
Results for this minimization:
  a = 7.499999999825377, total energy = -1.821951379560816e-11

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 4.155982474998483 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 3.1842146761001517, c = 5.184423631116747, total energy = -6.114744283939492

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 4.415731379685888 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.184214679950669, c = 5.184423623122154, total energy = -6.1147442839394905

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 4.675480284373293 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.184214704230732, c = 5.184423406546427, total energy = -6.114744283939486

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 4.935229189060698 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 3.1842146840593, c = 5.184423577930576, total energy = -6.1147442839394985

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 5.194978093748103 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.1842147218911014, c = 5.184423380930914, total energy = -6.114744283939475

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 5.4547269984355085 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 3.184214745294433, c = 5.184423427200612, total energy = -6.114744283939473

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 5.7144759031229135 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 3.184214706403565, c = 5.184423585753932, total energy = -6.114744283939483

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 5.974224807810319 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.1842146410278938, c = 5.184423535310613, total energy = -6.114744283939464

Attempting to perform relaxation using initial lattice constant guess of a = [3.18126139] Angstroms and c = 6.233973712497724 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.114744
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 3.1842146808853675, c = 5.184423490756622, total energy = -6.114744283939507

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

 Final lattice Constants:
   a = 3.1842146808853675 Angstroms, c = 5.184423490756622 Angstroms, c/a = 1.628164

 Total energy: -6.114744283939507 eV

 Cohesive energy: -1.5286860709848769 eV/atom

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