element(s):
['Se', 'Zn']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6746']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Se', 'Zn']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.6746, 0, 0], [0, 5.6746, 0], [0, 0, 5.6746]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:11:09      -21.551661         0.026273
BFGS:    1 20:11:09      -21.551690         0.025024
BFGS:    2 20:11:09      -21.551973         0.000002
BFGS:    3 20:11:09      -21.551973         0.000000
Minimization converged after 3 steps.
Maximum force component: 3.086182033278883e-31 eV/Angstrom
Maximum stress component: 2.1676564520848946e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se', 'Se', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[2.56790660e-34 2.56790659e-34 2.56790659e-34]
 [2.56790658e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.56791034e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.56790775e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.668999979809164, -4.4193983392251643e-38, 1.6856687523240776e-36], [-3.624008995559444e-34, 5.668999979809164, -2.20935900817556e-23], [7.501926752414781e-35, -2.2093590081755733e-23, 5.668999979809164]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.16459699e-32  9.89907445e-32  8.44332820e-32]
 [ 4.80396260e-32 -2.21273429e-31 -1.16459699e-31]
 [ 8.55250917e-32  1.28105669e-31  3.49379098e-32]
 [ 4.07608948e-32 -3.08618203e-31 -7.56988046e-32]]
stress =  [ 2.16765645e-11  2.16765645e-11  2.16765645e-11 -4.44257898e-28
 -1.13431845e-61  3.89273815e-61]
energy per atom =  -2.693996565101659
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0