Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: EAM_IMD_BrommerBoissieuEuchner_2009_MgZn__MO_710767216198_003
Computed model cutoff of 6.999999846816086 Angstroms
Computed isolated atomic energy of -0.2522659053997944 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: -4.362134
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.124818623065953, total energy = -4.36213389081547

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: -4.362134
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.124818592431256, total energy = -4.362133890815477

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: -4.362134
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.124818622949533, total energy = -4.362133890815469

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: -4.362134
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1248185904696655, total energy = -4.362133890815471

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: -4.362134
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1248185813427014, total energy = -4.362133890815469

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: -4.362134
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1248185884207507, total energy = -4.362133890815472

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: -4.362134
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1248186096549038, total energy = -4.362133890815473

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: -4.362134
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.124818599782884, total energy = -4.362133890815472

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: -4.362134
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.1248185947537452, total energy = -4.362133890815476

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: -4.362134
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.1248185994802054, total energy = -4.36213389081547

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: -4.362134
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.124818601179868, total energy = -4.362133890815473

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: -4.362134
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1248185884905957, total energy = -4.362133890815476

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: -4.362134
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.124818622949533, total energy = -4.362133890815468

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: -4.362134
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.124818575754762, total energy = -4.362133890815472

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: -4.362134
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.124818588356721, total energy = -4.362133890815475

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: -4.362134
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.12481858280953, total energy = -4.362133890815475

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: -4.362134
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.124818583577872, total energy = -4.36213389081547

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: -4.362134
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.1248185961158015, total energy = -4.362133890815471

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: -4.362134
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.124818612332456, total energy = -4.362133890815469

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: -4.362134
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1248186061042342, total energy = -4.36213389081547

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: -4.362134
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.124818609002978, total energy = -4.362133890815472

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: -4.362134
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1248185762786296, total energy = -4.362133890815471

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: -4.362134
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.124818599782884, total energy = -4.362133890815473

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: -4.362134
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.124818591214715, total energy = -4.36213389081547

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: -4.362134
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.124818607047199, total energy = -4.362133890815469

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: -4.362134
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1248185863718394, total energy = -4.362133890815469

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: -4.362134
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1248186062090078, total energy = -4.362133890815474

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: -4.362134
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1248185832519084, total energy = -4.362133890815475

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: -4.362134
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1248186017037334, total energy = -4.362133890815475

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: -4.362134
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1248186131939284, total energy = -4.362133890815474

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: -4.362134
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.124818584951573, total energy = -4.362133890815476

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: -4.362134
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1248185872100263, total energy = -4.362133890815475

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: -4.362134
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.124818608397618, total energy = -4.362133890815467

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: -4.362134
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.124818608448546, total energy = -4.362133890815472

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: -4.362134
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.12481858357787, total energy = -4.362133890815472

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: -4.362134
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.124818604066969, total energy = -4.362133890815474

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: -4.362134
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.1248185843229264, total energy = -4.362133890815469

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: -4.362134
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.124818615586264, total energy = -4.362133890815465

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: -4.362134
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1248185945907556, total energy = -4.362133890815476

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: -4.362134
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1248186027747553, total energy = -4.362133890815476

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: -4.362134
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1248185813426907, total energy = -4.3621338908154685

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: -4.362134
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.124818617335401, total energy = -4.3621338908154685

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 7.1875, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.012500000000001, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.15, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.287500000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.0875, total energy = 0.0

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: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.21875, 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: 33
         Function evaluations: 98
Results for this minimization:
  a = 7.0, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 4.082245914783216 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.1089426715914934, c = 5.159522025448659, total energy = -4.365281961583138

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 4.337386284457167 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 77
         Function evaluations: 155
Results for this minimization:
  a = 3.108942672673063, c = 5.159522015949973, total energy = -4.36528196158314

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 4.592526654131118 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 3.108942672023918, c = 5.159521961904348, total energy = -4.36528196158314

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 4.8476670238050685 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 3.10894267073544, c = 5.159521972490259, total energy = -4.365281961583139

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 5.1028073934790195 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.108942679372346, c = 5.1595219564770956, total energy = -4.365281961583138

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 5.35794776315297 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 73
         Function evaluations: 160
Results for this minimization:
  a = 3.1089426558168665, c = 5.159522001993174, total energy = -4.365281961583138

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 5.613088132826921 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.108942666230565, c = 5.159521982691511, total energy = -4.365281961583141

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 5.868228502500872 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.108942665964749, c = 5.159522042272423, total energy = -4.365281961583134

Attempting to perform relaxation using initial lattice constant guess of a = [3.12481859] Angstroms and c = 6.123368872174823 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.365282
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.108942671105738, c = 5.159522043100859, total energy = -4.365281961583135

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

 Final lattice Constants:
   a = 3.108942666230565 Angstroms, c = 5.159521982691511 Angstroms, c/a = 1.659575

 Total energy: -4.365281961583141 eV

 Cohesive energy: -1.0913204903957852 eV/atom

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