element(s):
['Cd', 'S']
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:
['5.4812']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'S']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.4812, 0, 0], [0, 5.4812, 0], [0, 0, 5.4812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:23:50      -12.889588        3.8302
BFGS:    1 14:23:50      -13.436630        3.4638
BFGS:    2 14:23:50      -13.928498        3.0929
BFGS:    3 14:23:50      -14.363981        2.7119
BFGS:    4 14:23:50      -14.741662        2.3230
BFGS:    5 14:23:50      -15.060780        1.9321
BFGS:    6 14:23:50      -15.321432        1.5441
BFGS:    7 14:23:50      -15.524289        1.1617
BFGS:    8 14:23:50      -15.670259        0.7857
BFGS:    9 14:23:50      -15.760354        0.4168
BFGS:   10 14:23:50      -15.795673        0.0555
BFGS:   11 14:23:50      -15.796320        0.0007
BFGS:   12 14:23:50      -15.796320        0.0000
BFGS:   13 14:23:50      -15.796320        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3308584462644772e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'S', 'S', 'S', 'S']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.28638364e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.28638364e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.829103825651009, -4.011606498768295e-32, -3.1834297896747704e-32], [-5.080897568042232e-32, 5.829103825651009, -2.975100731969857e-17], [-2.529446925585148e-32, -2.975100731969857e-17, 5.829103825651009]])
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 =  [-1.33085845e-12 -1.33085845e-12 -1.33085845e-12  3.56117467e-28
  7.08511521e-36 -4.35906587e-52]
energy per atom =  -1.9745400284545866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0