element(s):
['S', '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:
['5.8073']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['S', 'Te']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.8073, 0, 0], [0, 5.8073, 0], [0, 0, 5.8073]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:16:41      -14.477451         0.390442
BFGS:    1 12:16:41      -14.483544         0.337609
BFGS:    2 12:16:41      -14.500526         0.028261
BFGS:    3 12:16:41      -14.500635         0.001796
BFGS:    4 12:16:41      -14.500636         0.000009
BFGS:    5 12:16:41      -14.500636         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.10370736300773e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', '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 3.33248738e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.95984338e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.36787470e-49 3.33248738e-35 5.00000000e-01]]
cellpar =  Cell([[5.779256521192055, 2.135726497067949e-33, -7.618035579767667e-33], [-3.698054798123086e-32, 5.779256521192055, -1.2982391135759445e-18], [9.283276224229513e-33, -1.298239113575961e-18, 5.779256521192055]])
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 =  [-1.10370736e-10 -1.10370736e-10 -1.10370736e-10 -1.91401860e-28
  1.92209694e-36  1.71109076e-53]
energy per atom =  -1.8125794657518668
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0