Element = Lattice = Model = Element: Ar
Lattice: hcp
Model: Morse_QuinticSmoothed_Jelinek_1972_Ar__MO_908645784389_002
Computed model cutoff of 8.14994286019359 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ar

==============================================================================
==============================================================================
 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: -0.375029
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.7139697432518055, total energy = -0.37502860623397416

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: -0.375029
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.713969736965372, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.713969722390175, total energy = -0.3750286062339741

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: -0.375029
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.7139697136357537, total energy = -0.3750286062339741

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: -0.375029
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.7139697210397626, total energy = -0.37502860623397444

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: -0.375029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.713969722762707, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.713969746232033, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.7139697473030537, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7139697223901784, total energy = -0.37502860623397444

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: -0.375029
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.7139697203412663, total energy = -0.3750286062339742

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: -0.375029
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7139697369653737, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.713969724019986, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.713969722390175, total energy = -0.37502860623397455

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: -0.375029
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.713969725492645, total energy = -0.3750286062339746

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: -0.375029
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.713969751540575, total energy = -0.3750286062339745

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: -0.375029
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.7139697214355696, total energy = -0.3750286062339742

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: -0.375029
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.713969720620663, total energy = -0.3750286062339742

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: -0.375029
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.7139697279781103, total energy = -0.3750286062339745

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: -0.375029
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.7139697227627044, total energy = -0.37502860623397416

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: -0.375029
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.7139697462902412, total energy = -0.3750286062339742

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: -0.375029
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.713969746232033, total energy = -0.37502860623397416

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: -0.375029
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.7139697227627035, total energy = -0.3750286062339742

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: -0.375029
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.71396974241361, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.713969744439237, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.713969722390174, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.71396973169176, total energy = -0.3750286062339743

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: -0.375029
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7139697204402164, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.7139697279781103, total energy = -0.3750286062339745

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: -0.375029
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.713969736965371, total energy = -0.37502860623397444

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: -0.375029
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7139697247184804, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.713969735134744, total energy = -0.37502860623397455

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: -0.375029
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7139697421342115, total energy = -0.375028606233974

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: -0.375029
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.713969722390175, total energy = -0.3750286062339743

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: -0.375029
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.713969727305809, total energy = -0.37502860623397405

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: -0.375029
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.713969731359974, total energy = -0.3750286062339745

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: -0.375029
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.713969751377591, total energy = -0.3750286062339739

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: -0.375029
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.713969727978108, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.71396974241361, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.713969721435565, total energy = -0.3750286062339743

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: -0.375029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.713969738478771, total energy = -0.3750286062339744

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: -0.375029
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.713969720620657, total energy = -0.37502860623397444

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: -0.375029
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7139697286300333, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7139697279781103, total energy = -0.3750286062339745

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: -0.375029
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7139697404534653, total energy = -0.37502860623397455

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: -0.375029
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.713969717617143, total energy = -0.3750286062339742

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: -0.375029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.713969733682455, total energy = -0.3750286062339745

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: -0.375029
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7139697265665714, total energy = -0.3750286062339745

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: -0.375029
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7139697279781103, total energy = -0.37502860623397444

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: -0.375029
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7139697460690497, total energy = -0.37502860623397416

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: -0.375029
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7139697204809585, total energy = -0.37502860623397394

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: -0.375029
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7139697227626964, total energy = -0.37502860623397405

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: -0.375029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.713969736266878, total energy = -0.37502860623397427

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: -0.375029
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.71396974241361, total energy = -0.37502860623397455

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7139697386359374, total energy = -0.375028606233974

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7139697379432506, total energy = -0.3750286062339743

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.713969734660343, total energy = -0.37502860623397444

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.7139697223901704, total energy = -0.37502860623397427

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.7139697584789246, total energy = -0.3750286062339738

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.713969732268019, total energy = -0.37502860623397444

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 4.8519097320541285 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 75
         Function evaluations: 152
Results for this minimization:
  a = 3.7144768233304934, c = 6.063206768075203, total energy = -0.37502886662253965

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 5.155154090307511 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 3.7144768345853176, c = 6.063206786721115, total energy = -0.37502886662253904

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 5.458398448560894 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 3.7144768100409205, c = 6.063206785430797, total energy = -0.37502886662253954

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 5.761642806814277 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.714476832751362, c = 6.063206795025017, total energy = -0.3750288666225393

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 6.06488716506766 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.7144768000220596, c = 6.063206818411773, total energy = -0.37502886662253937

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 6.3681315233210425 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.714476819464598, c = 6.06320680317346, total energy = -0.3750288666225395

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 6.671375881574425 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 3.7144768279841425, c = 6.063206755415212, total energy = -0.37502886662253926

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 6.974620239827808 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 3.7144768112202344, c = 6.063206770522121, total energy = -0.3750288666225393

Attempting to perform relaxation using initial lattice constant guess of a = [3.71396973] Angstroms and c = 7.277864598081191 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.375029
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 3.7144768146165017, c = 6.063206820220164, total energy = -0.3750288666225394

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

 Final lattice Constants:
   a = 3.7144768233304934 Angstroms, c = 6.063206768075203 Angstroms, c/a = 1.632318

 Total energy: -0.37502886662253965 eV

 Cohesive energy: -0.09375721665563491 eV/atom

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