element(s):
['Cd', 'Se']
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:
['5.7212']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Se']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.7212, 0, 0], [0, 5.7212, 0], [0, 0, 5.7212]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:24      -14.337532         2.360753
BFGS:    1 15:37:24      -14.564246         2.120479
BFGS:    2 15:37:24      -14.855371         1.760601
BFGS:    3 15:37:24      -15.092345         1.399151
BFGS:    4 15:37:24      -15.275252         1.040384
BFGS:    5 15:37:24      -15.404767         0.687677
BFGS:    6 15:37:24      -15.481948         0.342791
BFGS:    7 15:37:24      -15.508027         0.008510
BFGS:    8 15:37:24      -15.508043         0.000115
BFGS:    9 15:37:24      -15.508043         0.000000
BFGS:   10 15:37:24      -15.508043         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.649458311514102e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.29584924e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.960563567900741, -2.319493497364384e-32, 1.5300667871545518e-34], [-2.2444682244797092e-32, 5.960563567900741, -8.1626902371854e-18], [-1.8044551679245198e-34, -8.1626902371854e-18, 5.960563567900741]])
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 =  [-7.64945831e-15 -7.64945831e-15 -7.64945831e-15 -1.23880216e-33
 -7.22777416e-36  9.36672656e-54]
energy per atom =  -1.9385054336613978
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0