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 11:14:59      -13.524334         1.455753
BFGS:    1 11:14:59      -13.610084         1.296160
BFGS:    2 11:14:59      -13.779544         0.976621
BFGS:    3 11:14:59      -13.906258         0.721041
BFGS:    4 11:14:59      -13.997677         0.502159
BFGS:    5 11:14:59      -14.057773         0.300897
BFGS:    6 11:14:59      -14.088254         0.105971
BFGS:    7 11:14:59      -14.092594         0.000425
BFGS:    8 11:14:59      -14.092594         0.000001
BFGS:    9 11:14:59      -14.092594         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2049271662434367e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.48015698e-34 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 3.04209823e-50]
 [9.73471433e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.622992045528207, -1.5581595064120058e-32, 2.502546868094708e-34], [-4.7300841270040905e-32, 5.622992045528207, 3.19675992727372e-17], [5.785378762343734e-33, 3.19675992727372e-17, 5.622992045528207]])
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 =  [-3.20492717e-13 -3.20492717e-13 -3.20492717e-13  1.17302686e-29
  8.12165027e-36 -2.09085549e-52]
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