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 13:47:25      -20.034417         0.576587
BFGS:    1 13:47:25      -20.048339         0.550181
BFGS:    2 13:47:25      -20.118659         0.386418
BFGS:    3 13:47:26      -20.163959         0.216540
BFGS:    4 13:47:26      -20.183304         0.040327
BFGS:    5 13:47:26      -20.183982         0.000915
BFGS:    6 13:47:26      -20.183982         0.000004
BFGS:    7 13:47:27      -20.183982         0.000000
Minimization converged after 7 steps.
Maximum force component: 6.462906030591366e-31 eV/Angstrom
Maximum stress component: 1.2292110135190427e-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([[6.049998800416829, 6.79145200824234e-33, 1.1720164260736683e-32], [-9.507799064102824e-33, 6.049998800416829, -2.93378587217527e-17], [5.134083620518813e-33, -2.933785872175272e-17, 6.049998800416829]])
forces =  [[ 2.48573309e-32  3.72859963e-32  2.48573309e-32]
 [-1.24286654e-32 -3.72859963e-32 -3.72859963e-32]
 [ 1.24286654e-32 -2.48573309e-32 -2.48573309e-32]
 [-2.48573309e-32  2.48573309e-32  3.72859963e-32]
 [ 1.49143985e-31 -7.45719927e-32  1.24286654e-31]
 [ 2.57894808e-31  1.55358318e-31  2.85859305e-31]
 [ 7.69023674e-32 -1.24286654e-31 -6.46290603e-31]
 [ 1.24286654e-31  1.11857989e-31 -2.73430640e-31]]
stress =  [ 1.22921101e-11  1.22921101e-11  1.22921101e-11  6.10262608e-27
 -2.24501178e-34 -5.53334093e-50]
energy per atom =  -2.5229977464884836
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0