Element = Lattice = Model = Element: Mg
Lattice: hcp
Model: MEAM_LAMMPS_DickelBaskesAslam_2018_MgAlZn__MO_093637366498_000
Computed model cutoff of 5.999999990463257 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: -6.038032
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.1900804076343827, total energy = -6.038031528152971

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: -6.038032
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.190080383367604, total energy = -6.038031528152971

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: -6.038032
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.190080389380455, total energy = -6.038031528152972

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: -6.038032
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.1900803822733073, total energy = -6.038031528152974

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: -6.038032
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.190080370008949, total energy = -6.0380315281529695

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: -6.038032
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.190080381114969, total energy = -6.038031528152972

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: -6.038032
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.1900803891127003, total energy = -6.038031528152973

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: -6.038032
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.1900803954340518, total energy = -6.038031528152973

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: -6.038032
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.190080386400226, total energy = -6.038031528152973

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: -6.038032
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.1900803879019812, total energy = -6.038031528152972

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: -6.038032
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.190080371685326, total energy = -6.038031528152969

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: -6.038032
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.190080388938075, total energy = -6.038031528152972

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: -6.038032
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.19008038751781, total energy = -6.038031528152971

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: -6.038032
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.1900803888682283, total energy = -6.038031528152971

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: -6.038032
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.1900803898926844, total energy = -6.038031528152971

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: -6.038032
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.190080400422448, total energy = -6.03803152815297

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: -6.038032
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.1900803878903403, total energy = -6.03803152815297

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: -6.038032
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.1900803768076003, total energy = -6.038031528152971

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: -6.038032
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.190080381947338, total energy = -6.03803152815297

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: -6.038032
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.190080402279272, total energy = -6.03803152815297

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: -6.038032
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.1900803878903394, total energy = -6.038031528152971

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: -6.038032
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1900804028759, total energy = -6.038031528152971

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: -6.038032
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.190080374479294, total energy = -6.0380315281529695

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: -6.038032
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.190080389194188, total energy = -6.03803152815297

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: -6.038032
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.190080386213957, total energy = -6.038031528152972

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: -6.038032
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1900803907890816, total energy = -6.038031528152972

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: -6.038032
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.190080397203563, total energy = -6.03803152815297

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: -6.038032
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1900803884200286, total energy = -6.038031528152973

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: -6.038032
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.190080403955651, total energy = -6.0380315281529695

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: -6.038032
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.1900803700089444, total energy = -6.038031528152968

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: -6.038032
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.190080392919482, total energy = -6.038031528152971

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: -6.038032
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.190080393827518, total energy = -6.038031528152972

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: -6.038032
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1900803912431, total energy = -6.038031528152974

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: -6.038032
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1900803750380833, total energy = -6.03803152815297

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: -6.038032
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.190080388012573, total energy = -6.038031528152972

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: -6.038032
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.190080388466595, total energy = -6.038031528152973

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: -6.038032
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1900803883559967, total energy = -6.038031528152971

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: -6.038032
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1900803896278376, total energy = -6.038031528152975

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: -6.038032
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1900803962722377, total energy = -6.038031528152972

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: -6.038032
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.190080387238411, total energy = -6.038031528152973

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: -6.038032
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.190080387890333, total energy = -6.038031528152971

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 4.167503569625148 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 3.1966190261244463, c = 5.18818014942849, total energy = -6.038391910538392

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 4.42797254272672 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 3.1966190578247553, c = 5.188180139479111, total energy = -6.038391910538389

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 4.688441515828292 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 3.1966190396735277, c = 5.188180146350353, total energy = -6.038391910538394

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 4.948910488929864 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 3.196619039092819, c = 5.1881801482577625, total energy = -6.038391910538392

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 5.209379462031436 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.196619036778828, c = 5.18818016638572, total energy = -6.038391910538392

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 5.469848435133009 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 73
         Function evaluations: 149
Results for this minimization:
  a = 3.196619038837488, c = 5.188180178940726, total energy = -6.038391910538394

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 5.730317408234581 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 3.1966190476713185, c = 5.18818018514172, total energy = -6.038391910538392

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 5.990786381336153 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.196619048720221, c = 5.1881801474654266, total energy = -6.038391910538391

Attempting to perform relaxation using initial lattice constant guess of a = [3.19008039] Angstroms and c = 6.251255354437725 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.038392
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 3.1966190204234564, c = 5.188180240672653, total energy = -6.0383919105383885

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

 Final lattice Constants:
   a = 3.1966190396735277 Angstroms, c = 5.188180146350353 Angstroms, c/a = 1.623021

 Total energy: -6.038391910538394 eV

 Cohesive energy: -1.5095979776345985 eV/atom

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