element(s):
['Cd', 'S']
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:
['5.9142']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'S']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.9142, 0, 0], [0, 5.9142, 0], [0, 0, 5.9142]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:06:04      -22.042765         0.376665
BFGS:    1 19:06:04      -22.048698         0.358389
BFGS:    2 19:06:04      -22.089552         0.185361
BFGS:    3 19:06:04      -22.104009         0.006380
BFGS:    4 19:06:04      -22.104025         0.000113
BFGS:    5 19:06:04      -22.104025         0.000000
BFGS:    6 19:06:04      -22.104025         0.000000
Minimization converged after 6 steps.
Maximum force component: 4.5550552662425745e-31 eV/Angstrom
Maximum stress component: 2.7884429723141674e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'S', 'S', 'S', 'S']
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([[5.834999790139106, -1.3205165549486938e-33, 4.4358934019755036e-35], [1.9802595168661897e-33, 5.834999790139106, -7.241537919162537e-20], [3.088323461490474e-34, -7.24153791916242e-20, 5.834999790139106]])
forces =  [[-4.70253927e-66 -1.19869875e-32 -1.19869875e-32]
 [-4.70253927e-66 -1.19869875e-32 -1.19869875e-32]
 [-4.70253927e-66 -1.19869875e-32 -1.19869875e-32]
 [-2.99674689e-33 -1.19869875e-32 -1.19869875e-32]
 [ 1.19869875e-32 -3.59609626e-32 -1.61824332e-31]
 [-1.30358490e-31  1.25863369e-31 -3.26645411e-31]
 [-5.99349377e-33 -8.39089128e-32  4.55505527e-31]
 [-1.07882888e-31  5.39414439e-32  3.17655170e-31]]
stress =  [ 2.78844297e-14  2.78844297e-14  2.78844297e-14 -5.90445268e-30
 -1.20675058e-34  2.23769011e-50]
energy per atom =  -2.7630031856493433
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0