element(s):
['S', '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:
['5.421']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['S', 'Se']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.421, 0, 0], [0, 5.421, 0], [0, 0, 5.421]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:39:20      -13.524334        1.4558
BFGS:    1 14:39:20      -13.610084        1.2962
BFGS:    2 14:39:20      -13.779544        0.9766
BFGS:    3 14:39:20      -13.906258        0.7210
BFGS:    4 14:39:20      -13.997677        0.5022
BFGS:    5 14:39:20      -14.057773        0.3009
BFGS:    6 14:39:20      -14.088254        0.1060
BFGS:    7 14:39:20      -14.092594        0.0004
BFGS:    8 14:39:20      -14.092594        0.0000
BFGS:    9 14:39:20      -14.092594        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.202520115412325e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.73471433e-49 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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.48015698e-34]
 [9.73471433e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.622992045528208, 4.9084184683377224e-32, -5.460614291111968e-34], [4.333829188411658e-32, 5.622992045528208, 3.890377251656749e-17], [-5.848368885198361e-32, 3.890377251656757e-17, 5.622992045528208]])
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 =  [-3.20252012e-13 -3.20252012e-13 -3.20252012e-13  5.26120494e-31
 -3.24866011e-35  1.34518456e-51]
energy per atom =  -1.7615742559493435
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0