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 14:39:20      -14.477451        0.3904
BFGS:    1 14:39:20      -14.483544        0.3376
BFGS:    2 14:39:20      -14.500526        0.0283
BFGS:    3 14:39:20      -14.500635        0.0018
BFGS:    4 14:39:20      -14.500636        0.0000
BFGS:    5 14:39:20      -14.500636        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1036983693057432e-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 1.66624369e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.91968676e-50 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.66624369e-35 5.00000000e-01]]
cellpar =  Cell([[5.779256521192057, -5.684819000708717e-33, 6.630164248312591e-32], [-1.805251424288702e-36, 5.779256521192057, -1.3017228152340437e-18], [5.482371451606667e-32, -1.301722815234044e-18, 5.779256521192057]])
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 =  [-1.10369837e-10 -1.10369837e-10 -1.10369837e-10  5.02387870e-26
 -3.26756480e-35  7.40756146e-51]
energy per atom =  -1.8125794657518721
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0