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 19:06:04      -16.435498         0.256851
BFGS:    1 19:06:04      -16.438282         0.249000
BFGS:    2 19:06:04      -16.467499         0.139899
BFGS:    3 19:06:04      -16.480049         0.026740
BFGS:    4 19:06:04      -16.480513         0.000610
BFGS:    5 19:06:04      -16.480513         0.000003
BFGS:    6 19:06:04      -16.480513         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.4368775931063941e-31 eV/Angstrom
Maximum stress component: 7.119638440004446e-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([[6.5064200692896055, -1.268585616378293e-33, -2.6991955101346793e-34], [1.501586290873985e-32, 6.5064200692896055, -1.0631228243016772e-17], [2.573680773914761e-34, -1.0631228243016773e-17, 6.5064200692896055]])
forces =  [[-6.68315160e-33  1.30304375e-66  2.77251278e-67]
 [-3.34157580e-33 -3.34157580e-33 -3.34157580e-33]
 [-2.64358873e-67  1.09200004e-50 -6.68315160e-33]
 [-1.54237333e-65 -6.68315160e-33  1.09200004e-50]
 [-2.00494548e-32 -8.77163647e-33 -9.52349102e-32]
 [-2.50618185e-32  3.34157580e-33 -7.68562434e-32]
 [-1.71255760e-32 -8.77163647e-33  1.43687759e-31]
 [-3.17449701e-32 -1.16955153e-32  1.16955153e-31]]
stress =  [ 7.11963844e-12  7.11963844e-12  7.11963844e-12  1.71264001e-30
  2.42635876e-35 -3.92162462e-53]
energy per atom =  -2.060064129406141
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0