Element = Lattice = Model = Element: Co
Lattice: hcp
Model: EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
Computed model cutoff of 7.200000000074521 Angstroms
Computed isolated atomic energy of 0.0 eV for species Co

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 0.6999999999999997 Angstroms and c = 1.143095213298816 Angstroms; the model cutoff was estimated to be 7.200000000074521 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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: -113.339060
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 1.3991239203955053, total energy = -113.33906004843715

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: -113.339060
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 1.3991239222232252, total energy = -113.33906004843648

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: -113.339060
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 1.3991238869726659, total energy = -113.33906004843675

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: -113.339060
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 1.3991239207796748, total energy = -113.33906004843767

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: -113.339060
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 1.3991239005699754, total energy = -113.33906004843696

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: -113.339060
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.3991239003837102, total energy = -113.33906004843743

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: -113.339060
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 1.399123901501298, total energy = -113.33906004843779

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: -113.339060
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 1.3991239309310908, total energy = -113.33906004843618

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: -113.339060
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 1.3991238977061569, total energy = -113.33906004843801

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: -113.339060
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 1.3991238868678904, total energy = -113.33906004843675

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: -15.836013
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.698110873997211, total energy = -15.836012619004567

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: -15.836013
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.698110866942443, total energy = -15.836012619004602

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: -15.836013
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.698110857815482, total energy = -15.836012619004572

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: -15.836013
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.698110907385125, total energy = -15.83601261900455

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: -15.836013
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.6981108850537563, total energy = -15.836012619004585

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: -15.836013
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6981109017506233, total energy = -15.836012619004554

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: -15.836013
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6981108740437776, total energy = -15.836012619004569

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: -113.339060
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.3991238987538934, total energy = -113.33906004843723

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: -15.836013
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6981108745094384, total energy = -15.836012619004558

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: -15.836013
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.698110881447791, total energy = -15.836012619004563

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: -113.339060
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 1.3991238937247499, total energy = -113.33906004843713

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: -113.339060
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 1.399123901501298, total energy = -113.3390600484377

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: -4.818181
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.002590842777864, total energy = -4.818180901232035

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: -4.818181
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.002590847015384, total energy = -4.818180901232034

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: -4.818181
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.002590847760436, total energy = -4.818180901232035

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: -4.818181
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 5.002590849436821, total energy = -4.818180901232035

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: -4.818181
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 5.002590846270323, total energy = -4.818180901232034

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: -4.818181
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 5.002590849576519, total energy = -4.818180901232036

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: -4.818181
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.002590854093435, total energy = -4.818180901232035

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: -4.818181
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 5.002590851802961, total energy = -4.818180901232036

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: -4.818181
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 5.002590854238953, total energy = -4.818180901232036

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: -4.818181
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 5.0025908425450325, total energy = -4.818180901232034

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: -4.818181
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 5.002590842545031, total energy = -4.818180901232034

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: -4.818181
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.002590848878027, total energy = -4.818180901232036

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: -4.818181
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.002590852719734, total energy = -4.818180901232035

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: -4.818181
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.002590864151715, total energy = -4.818180901232036

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: -4.818181
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 5.002590854186565, total energy = -4.818180901232035

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: -4.818181
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 5.002590849192346, total energy = -4.818180901232036

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: -4.818181
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 5.002590854861773, total energy = -4.818180901232036

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: -4.818181
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 5.002590843569485, total energy = -4.8181809012320365

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: -4.818181
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 5.002590849896659, total energy = -4.818180901232037

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: -4.818181
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.002590846270323, total energy = -4.818180901232036

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: -4.818181
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 5.002590849436818, total energy = -4.818180901232035

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: -4.818181
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.002590856887401, total energy = -4.8181809012320365

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: 34
         Function evaluations: 99
Results for this minimization:
  a = 7.425000000000001, 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: 97
Results for this minimization:
  a = 7.3500000000000005, total energy = 0.0

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

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 7.48125, total energy = 0.0

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

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 7.25, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 1.8278078060341612 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 1.396163734101088, c = 2.2955298170606935, total energy = -113.35794046774699

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 1.9420457939112963 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 75
         Function evaluations: 165
Results for this minimization:
  a = 1.3961637003138818, c = 2.2955297627809284, total energy = -113.35794046774703

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 2.0562837817884314 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 1.3961637226899706, c = 2.295529779905884, total energy = -113.35794046774726

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 2.1705217696655668 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 65
         Function evaluations: 136
Results for this minimization:
  a = 1.3961637249550272, c = 2.2955298029509574, total energy = -113.35794046774731

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 2.2847597575427017 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 1.3961637327402112, c = 2.29552973916181, total energy = -113.35794046774778

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 2.3989977454198366 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 68
         Function evaluations: 141
Results for this minimization:
  a = 1.3961637155509505, c = 2.2955298299880544, total energy = -113.35794046774708

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 2.513235733296972 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 1.3961637132703768, c = 2.2955297834370967, total energy = -113.3579404677474

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 2.6274737211741073 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 1.3961637078388551, c = 2.29552980776094, total energy = -113.3579404677473

Attempting to perform relaxation using initial lattice constant guess of a = [1.3991239] Angstroms and c = 2.741711709051242 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -113.357940
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 1.3961637293926596, c = 2.29552976951486, total energy = -113.35794046774716

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

 Final lattice Constants:
   a = 1.3961637327402112 Angstroms, c = 2.29552973916181 Angstroms, c/a = 1.644169

 Total energy: -113.35794046774778 eV

 Cohesive energy: -28.339485116936945 eV/atom

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