Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000
Computed model cutoff of 4.427453175298902 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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:
Calling "kim_model.compute" failed.

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: -14.038862
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5675243757665154, total energy = -14.038861948394342

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: -14.038862
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5675243698060513, total energy = -14.038861948394334

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: -14.038862
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.567524367570882, total energy = -14.038861948394342

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: -14.038862
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.567524355929348, total energy = -14.038861948394329

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: -14.038862
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.567524361610415, total energy = -14.038861948394329

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: -14.038862
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5675243698060517, total energy = -14.038861948394333

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: -14.038862
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5675243721343577, total energy = -14.038861948394326

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: -14.038862
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.567524366825821, total energy = -14.038861948394334

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: -14.038862
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.567524362081895, total energy = -14.038861948394334

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: -14.038862
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.567524369165767, total energy = -14.038861948394338

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: -14.038862
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.567524361610412, total energy = -14.03886194839433

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: -14.038862
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5675243698060513, total energy = -14.038861948394329

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: -14.038862
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5675243733916435, total energy = -14.038861948394326

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: -14.038862
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5675243675708765, total energy = -14.038861948394329

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: -14.038862
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.567524377617518, total energy = -14.038861948394333

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: -14.038862
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.567524356627836, total energy = -14.038861948394338

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: -14.038862
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5675243651494384, total energy = -14.03886194839433

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: -14.038862
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.567524364031851, total energy = -14.038861948394338

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: -14.038862
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.56752435612143, total energy = -14.038861948394327

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: -14.038862
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5675243701320127, total energy = -14.038861948394343

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: -14.038862
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.5675243702018617, total energy = -14.038861948394336

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: -14.038862
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5675243651494384, total energy = -14.03886194839434

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: -14.038862
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5675243698933583, total energy = -14.038861948394336

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: -14.038862
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5675243824720377, total energy = -14.038861948394334

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: -14.038862
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5675243726931525, total energy = -14.038861948394322

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: -14.038862
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5675243619829384, total energy = -14.038861948394327

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: -14.038862
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.567524373473134, total energy = -14.03886194839433

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: -14.038862
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.567524356488134, total energy = -14.03886194839433

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 3.354199791458243 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5454291976114085, c = 4.245066573488372, total energy = -14.049970335776612

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 3.563837278424383 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.5454291895502434, c = 4.245066612137831, total energy = -14.04997033577659

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 3.773474765390523 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.5454292070741893, c = 4.245066549431874, total energy = -14.049970335776596

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 3.9831122523566633 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.5454292041994244, c = 4.2450666064687566, total energy = -14.049970335776587

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 4.192749739322803 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 62
         Function evaluations: 135
Results for this minimization:
  a = 2.5454292049526965, c = 4.245066637904314, total energy = -14.04997033577659

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 4.402387226288944 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.545429205419011, c = 4.245066533628441, total energy = -14.049970335776594

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 4.612024713255083 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.5454291574071153, c = 4.245066589860016, total energy = -14.049970335776582

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 4.821662200221224 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 76
         Function evaluations: 153
Results for this minimization:
  a = 2.545429188251684, c = 4.245066617660447, total energy = -14.049970335776598

Attempting to perform relaxation using initial lattice constant guess of a = [2.56752437] Angstroms and c = 5.031299687187364 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.049970
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.5454292048390665, c = 4.245066591460112, total energy = -14.049970335776589

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

 Final lattice Constants:
   a = 2.5454291976114085 Angstroms, c = 4.245066573488372 Angstroms, c/a = 1.667721

 Total energy: -14.049970335776612 eV

 Cohesive energy: -3.512492583944153 eV/atom

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