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 14:18:07      -21.551661        0.0263
BFGS:    1 14:18:07      -21.551690        0.0250
BFGS:    2 14:18:07      -21.551973        0.0000
BFGS:    3 14:18:07      -21.551973        0.0000
Minimization converged after 3 steps.
Maximum force component: 1.3392865427436661e-31 eV/Angstrom
Maximum stress component: 2.1676564520848955e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Se', 'Se', 'Se', 'Se', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[1.67408456e-42 1.50870473e-50 1.50870473e-50]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.59193499e-40 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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, 1.358478573339332e-34, 1.066046468220379e-35], [-2.2098406314793415e-38, 5.668999979809164, -2.20935900817556e-23], [2.6391259764578883e-36, -2.2093590081755733e-23, 5.668999979809164]])
forces =  [[ 1.16459699e-32  5.82298497e-33  1.16459699e-32]
 [-1.08432464e-68  9.07748410e-56 -2.32919399e-32]
 [-1.74689549e-32 -5.82298497e-33  2.26937102e-56]
 [-5.82298497e-33  6.80811307e-56 -1.74689549e-32]
 [-2.32919399e-32  5.21955336e-55 -1.33928654e-31]
 [ 1.45574624e-33 -2.32919399e-32 -2.32919399e-32]
 [-8.33414724e-32  4.07608948e-32  3.49379098e-32]
 [ 5.60321245e-69 -4.65838797e-32  1.16459699e-32]]
stress =  [ 2.16765645e-11  2.16765645e-11  2.16765645e-11 -1.19191156e-28
 -3.66411222e-63  4.92773839e-65]
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