element(s):
['Cd', 'Te']
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:
['6.6015']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.6015, 0, 0], [0, 6.6015, 0], [0, 0, 6.6015]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:11:08      -17.310252         0.496864
BFGS:    1 20:11:08      -17.320595         0.474610
BFGS:    2 20:11:08      -17.379838         0.314224
BFGS:    3 20:11:08      -17.414538         0.147344
BFGS:    4 20:11:08      -17.423985         0.005576
BFGS:    5 20:11:08      -17.423998         0.000094
BFGS:    6 20:11:08      -17.423998         0.000000
BFGS:    7 20:11:08      -17.423998         0.000000
Minimization converged after 7 steps.
Maximum force component: 4.524693216612605e-31 eV/Angstrom
Maximum stress component: 1.76367494184798e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[6.478001022367135, 3.806324935443709e-33, -5.674081912402523e-34], [-8.880373982320993e-33, 6.478001022367135, 2.2866827550131385e-18], [6.091416273503205e-33, 2.2866827550131158e-18, 6.478001022367135]])
forces =  [[ 1.33079212e-32 -1.33079212e-32 -1.99618818e-32]
 [ 6.65396061e-33  6.65396061e-33  6.65396061e-33]
 [ 3.07569271e-65 -1.33079212e-32  1.33079212e-32]
 [-1.33079212e-32 -4.69759018e-51 -1.33079212e-32]
 [ 6.65396061e-32 -4.12545558e-31 -1.89637877e-31]
 [ 2.99428228e-32  4.37497910e-31  1.03136389e-31]
 [ 7.15300766e-32 -4.52469322e-31  3.99237637e-32]
 [ 1.33079212e-32  4.35834420e-31 -2.12926740e-31]]
stress =  [-1.76367494e-14 -1.76367494e-14 -1.76367494e-14  2.39769097e-30
  9.79077748e-35 -1.77304451e-50]
energy per atom =  -2.17799972978811
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0