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 14:23:50      -14.053735        1.3168
BFGS:    1 14:23:50      -14.124748        1.2000
BFGS:    2 14:23:50      -14.281477        0.8895
BFGS:    3 14:23:50      -14.391483        0.5769
BFGS:    4 14:23:50      -14.454503        0.2635
BFGS:    5 14:23:50      -14.471223        0.0022
BFGS:    6 14:23:50      -14.471224        0.0000
BFGS:    7 14:23:50      -14.471224        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.1349281232327346e-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]
 [1.09138392e-49 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 0.00000000e+00]
 [5.45691962e-50 5.00000000e-01 0.00000000e+00]
 [1.09138392e-49 4.91515624e-34 5.00000000e-01]]
cellpar =  Cell([[6.269359024469249, 9.443289736386675e-33, 1.7452040674796918e-32], [-3.2663659058184476e-33, 6.269359024469249, 1.4117729252768127e-17], [-1.1596512871512514e-32, 1.4117729252768154e-17, 6.269359024469249]])
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 =  [-4.13492812e-11 -4.13492812e-11 -4.13492812e-11  2.88909667e-27
 -1.30666102e-35  2.05472181e-51]
energy per atom =  -1.8089029620906685
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0