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_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
==== 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 14:13:29      -16.435498        0.2569
BFGS:    1 14:13:29      -16.438282        0.2490
BFGS:    2 14:13:29      -16.467499        0.1399
BFGS:    3 14:13:29      -16.480049        0.0267
BFGS:    4 14:13:29      -16.480513        0.0006
BFGS:    5 14:13:29      -16.480513        0.0000
BFGS:    6 14:13:29      -16.480513        0.0000
Minimization converged after 6 steps.
Maximum force component: 4.945532180924333e-31 eV/Angstrom
Maximum stress component: 7.119571361169242e-12 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([[6.506420069289605, -1.252559286632813e-33, -2.7215116382968017e-34], [1.5016026486700712e-32, 6.506420069289605, -1.0631377234862008e-17], [4.275021807001557e-34, -1.063137723486201e-17, 6.506420069289605]])
forces =  [[-1.58630156e-65 -6.68315160e-33 -6.68315160e-33]
 [ 6.68315160e-33 -6.68315160e-33 -6.68315160e-33]
 [ 6.68315160e-33 -6.68315160e-33 -6.68315160e-33]
 [-1.59727942e-65 -6.68315160e-33 -8.35393949e-33]
 [ 2.67326064e-32  3.07424973e-31  2.45605821e-31]
 [ 2.17202427e-32 -4.11013823e-31  3.57548610e-31]
 [-6.57350614e-32  3.27474428e-31 -4.94553218e-31]
 [-1.33663032e-32 -4.16026187e-31 -2.80692367e-31]]
stress =  [ 7.11957136e-12  7.11957136e-12  7.11957136e-12 -3.80652651e-29
 -9.70543504e-35  5.27357101e-52]
energy per atom =  -2.0600641294061406
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0