Element = Lattice = Model = Element: Ca
Lattice: hcp
Model: EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
Computed model cutoff of 8.999999989494702 Angstroms
Computed isolated atomic energy of -0.38408648266894424 eV for species Ca

==============================================================================
==============================================================================
 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: -4.077148
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.027934020757682, total energy = -4.077147601224568

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: -4.077148
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.027934002876279, total energy = -4.077147601224573

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: -4.077148
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.027934015728533, total energy = -4.077147601224567

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: -4.077148
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.027934002748236, total energy = -4.0771476012245715

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: -4.077148
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.027934012934571, total energy = -4.0771476012245715

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: -4.077148
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.027934006229047, total energy = -4.077147601224571

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: -4.077148
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.027933969907462, total energy = -4.077147601224569

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: -4.077148
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.027934001758695, total energy = -4.077147601224572

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: 18.088121
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.629066857509316, total energy = 18.08812061005543

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: -4.077148
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.0279340101406, total energy = -4.07714760122457

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: 18.088121
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6290668577887124, total energy = 18.088120610055444

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: 18.088121
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.6290668574161824, total energy = 18.088120610055423

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: 18.088121
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.6290668577421457, total energy = 18.088120610055437

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: 18.088121
         Iterations: 32
         Function evaluations: 65
Results for this minimization:
  a = 2.6290668575355083, total energy = 18.088120610055444

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: -4.077148
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 4.027934002876286, total energy = -4.07714760122457

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: -4.077148
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.0279340105131265, total energy = -4.0771476012245715

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: -4.077148
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.027934001758696, total energy = -4.077147601224572

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: -4.077148
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.0279339626431465, total energy = -4.077147601224568

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: -4.077148
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.027933998964729, total energy = -4.077147601224569

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: -4.077148
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.027934016287327, total energy = -4.077147601224571

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: -4.077148
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.027933969907464, total energy = -4.077147601224567

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: -4.077148
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.027933990349992, total energy = -4.0771476012245715

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: -4.077148
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.027934001758695, total energy = -4.077147601224571

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: -4.077148
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.027934002946132, total energy = -4.077147601224567

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: -4.077148
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 4.027933967020363, total energy = -4.07714760122457

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: -4.077148
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.027934003068367, total energy = -4.077147601224569

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: -4.077148
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 4.027934010140596, total energy = -4.077147601224567

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: -4.077148
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 4.027933988487348, total energy = -4.077147601224567

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: -4.077148
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.0279340062290405, total energy = -4.077147601224571

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: -4.077148
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.02793398386857, total energy = -4.077147601224568

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: -4.077148
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.027934006229042, total energy = -4.077147601224571

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: -4.077148
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.027933969907464, total energy = -4.077147601224568

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: -4.077148
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.027934014797211, total energy = -4.077147601224569

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: -1.524303
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.5864501953125, total energy = -1.5243030723018063

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: -1.524303
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 5.586450188979507, total energy = -1.5243030723018063

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: -1.524303
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 5.586450192643678, total energy = -1.5243030723018058

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: -1.524303
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.586450194567442, total energy = -1.5243030723018067

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: -1.524303
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 5.586450202390552, total energy = -1.5243030723018063

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: -1.524303
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.586450198962118, total energy = -1.5243030723018067

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: -1.524303
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.5864502011216235, total energy = -1.5243030723018058

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: -0.419811
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 6.287391730165112, total energy = -0.41981149234774473

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: -4.077148
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.027933968603609, total energy = -4.077147601224565

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: -4.077148
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.027933991674217, total energy = -4.077147601224571

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: -0.419811
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 6.287391730025412, total energy = -0.41981149234774495

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: -1.524303
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.586450194544158, total energy = -1.5243030723018063

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: -1.524303
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 5.586450198944656, total energy = -1.5243030723018058

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: -4.077148
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.027933976054186, total energy = -4.077147601224569

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: -4.077148
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.027933993143961, total energy = -4.077147601224573

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: -4.077148
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.02793396990746, total energy = -4.077147601224567

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: -4.077148
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.027934006229039, total energy = -4.077147601224571

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: -1.524303
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 5.58645019009709, total energy = -1.5243030723018058

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: -1.524303
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 5.586450196662917, total energy = -1.5243030723018058

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: 36
         Function evaluations: 104
Results for this minimization:
  a = 9.375, total energy = 0.0

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: 0.000000
         Iterations: 36
         Function evaluations: 104
Results for this minimization:
  a = 9.531249999999995, total energy = 0.0

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: 0.000000
         Iterations: 36
         Function evaluations: 104
Results for this minimization:
  a = 9.687500000000002, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 9.056250000000002, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 9.200000000000003, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 9.34375, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 9.075, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 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 = 9.212500000000002, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 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 = 9.350000000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 100
Results for this minimization:
  a = 9.05625, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 100
Results for this minimization:
  a = 9.1875, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 100
Results for this minimization:
  a = 9.31875, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 101
Results for this minimization:
  a = 9.0, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 5.262070946481618 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 3.9698668065947675, c = 6.86743277263827, total energy = -4.137291729035085

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 5.590950380636719 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 73
         Function evaluations: 160
Results for this minimization:
  a = 3.969866807425142, c = 6.8674327805513755, total energy = -4.137291729035082

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 5.91982981479182 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 3.9698668015038048, c = 6.867432754765894, total energy = -4.137291729035088

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 6.248709248946921 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.969866808298612, c = 6.8674327342357895, total energy = -4.137291729035085

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 6.577588683102022 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 3.969866807717872, c = 6.867432735435225, total energy = -4.137291729035087

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 6.9064681172571225 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 3.969866808456458, c = 6.867432739801252, total energy = -4.137291729035085

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 7.235347551412223 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 3.969866811129113, c = 6.867432731524444, total energy = -4.137291729035087

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 7.564226985567324 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 3.969866815625974, c = 6.867432738277312, total energy = -4.137291729035083

Attempting to perform relaxation using initial lattice constant guess of a = [4.027934] Angstroms and c = 7.893106419722425 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.137292
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 3.9698668073441428, c = 6.86743274821195, total energy = -4.137291729035084

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

 Final lattice Constants:
   a = 3.9698668015038048 Angstroms, c = 6.867432754765894 Angstroms, c/a = 1.729890

 Total energy: -4.137291729035088 eV

 Cohesive energy: -1.034322932258772 eV/atom

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