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 14:13:29      -17.310252        0.4969
BFGS:    1 14:13:29      -17.320595        0.4746
BFGS:    2 14:13:29      -17.379838        0.3142
BFGS:    3 14:13:29      -17.414538        0.1473
BFGS:    4 14:13:29      -17.423985        0.0056
BFGS:    5 14:13:29      -17.423998        0.0001
BFGS:    6 14:13:29      -17.423998        0.0000
BFGS:    7 14:13:29      -17.423998        0.0000
Minimization converged after 7 steps.
Maximum force component: 1.4306015317231033e-31 eV/Angstrom
Maximum stress component: 1.7622590430606114e-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, -3.1544157096195842e-34, 2.2705145158682827e-33], [-1.0739536428820712e-32, 6.478001022367135, 1.4395570965311225e-18], [1.8987463576355582e-33, 1.4395570965311239e-18, 6.478001022367135]])
forces =  [[ 1.33079212e-32  1.33079212e-32  1.33079212e-32]
 [ 1.33079212e-32  1.30999850e-32  6.44602434e-33]
 [ 1.33079212e-32  1.33079212e-32  1.33079212e-32]
 [ 1.33079212e-32  1.33079212e-32  6.65396061e-33]
 [-2.66158425e-32 -3.99237637e-32 -6.65396061e-32]
 [-3.32698031e-33 -1.33079212e-32 -1.43060153e-31]
 [-6.32126258e-32 -2.66158425e-32  1.33079212e-32]
 [ 8.50817499e-65 -2.66158425e-32  1.39733173e-31]]
stress =  [-1.76225904e-14 -1.76225904e-14 -1.76225904e-14 -2.39318401e-30
 -9.79077748e-35 -1.82703652e-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