element(s):
['Cd', 'Te']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.1081']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.1081, 0, 0], [0, 6.1081, 0], [0, 0, 6.1081]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:19:06      -14.053735         1.316781
BFGS:    1 19:19:06      -14.124748         1.199996
BFGS:    2 19:19:06      -14.281477         0.889488
BFGS:    3 19:19:06      -14.391483         0.576903
BFGS:    4 19:19:06      -14.454503         0.263513
BFGS:    5 19:19:06      -14.471223         0.002180
BFGS:    6 19:19:06      -14.471224         0.000016
BFGS:    7 19:19:06      -14.471224         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.1349603009057875e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.45757812e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 3.27415177e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.269359024469248, 1.968301759463768e-32, -1.2089150605877691e-32], [-5.887984528772165e-33, 6.269359024469248, 1.389597296667924e-17], [3.228720828724961e-32, 1.389597296667923e-17, 6.269359024469248]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.13496030e-11 -4.13496030e-11 -4.13496030e-11  6.51620370e-27
  2.93998730e-35 -2.34500077e-51]
energy per atom =  -1.8089029620906711
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0