element(s):
['Cd', 'Se']
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:
['6.1809']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Se']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.1809, 0, 0], [0, 6.1809, 0], [0, 0, 6.1809]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:11:09      -20.034417         0.576587
BFGS:    1 20:11:09      -20.048339         0.550181
BFGS:    2 20:11:09      -20.118659         0.386418
BFGS:    3 20:11:09      -20.163959         0.216540
BFGS:    4 20:11:09      -20.183304         0.040327
BFGS:    5 20:11:09      -20.183982         0.000915
BFGS:    6 20:11:09      -20.183982         0.000004
BFGS:    7 20:11:09      -20.183982         0.000000
Minimization converged after 7 steps.
Maximum force component: 4.971466177377974e-31 eV/Angstrom
Maximum stress component: 1.2291920545673517e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se']
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([[6.049998800416828, 6.81223165442183e-33, -2.2000093086522106e-32], [-7.469380749659717e-33, 6.049998800416828, -2.5806430410053163e-18], [1.594752781523775e-34, -2.5806430410053425e-18, 6.049998800416828]])
forces =  [[-1.24286654e-32 -1.24286654e-32 -2.48573309e-32]
 [ 3.06890753e-65 -2.48573309e-32  1.06029604e-50]
 [-1.24286654e-32  5.30148022e-51 -1.24286654e-32]
 [-2.48573309e-32 -1.24286654e-32 -1.24286654e-32]
 [-1.24286654e-31 -2.73430640e-31  5.12682450e-32]
 [ 9.55453656e-32  4.46655164e-31  2.92850430e-31]
 [-6.75808683e-32 -4.97146618e-31  2.48573309e-32]
 [ 4.97146618e-32  3.88395795e-31  4.97146618e-32]]
stress =  [1.22919205e-11 1.22919205e-11 1.22919205e-11 5.51676201e-27
 1.12250589e-34 1.24529828e-50]
energy per atom =  -2.5229977464884845
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0