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 13:47:41      -22.042765         0.376665
BFGS:    1 13:47:42      -22.048698         0.358389
BFGS:    2 13:47:42      -22.089552         0.185361
BFGS:    3 13:47:42      -22.104009         0.006380
BFGS:    4 13:47:43      -22.104025         0.000113
BFGS:    5 13:47:43      -22.104025         0.000000
BFGS:    6 13:47:43      -22.104025         0.000000
Minimization converged after 6 steps.
Maximum force component: 7.192192525646169e-31 eV/Angstrom
Maximum stress component: 2.765302616132396e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'S', 'S', 'S', 'S']
basis =  [[2.56793567e-34 2.56790659e-34 2.56790659e-34]
 [2.56857908e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.54769020e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.53737566e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.834999790139105, 4.177495738757159e-34, 1.062540796030987e-33], [-8.816876942604679e-35, 5.834999790139105, -6.93928903248396e-20], [-1.536444862309459e-34, -6.939289032483905e-20, 5.834999790139105]])
forces =  [[-2.39739751e-32 -3.59609626e-32 -3.59609626e-32]
 [-1.19869875e-32  3.59609626e-32 -1.19869875e-32]
 [-1.19869875e-32  1.19869875e-32  2.39739751e-32]
 [ 3.59609626e-32 -2.39739751e-32 -1.19869875e-32]
 [ 4.55505527e-31  3.83583601e-31 -2.20260896e-31]
 [-4.15049444e-31  5.99349377e-31 -1.85798307e-31]
 [ 6.59284315e-32  3.59609626e-31  3.35635651e-31]
 [-7.19219253e-32  5.94854257e-31  7.19219253e-31]]
stress =  [ 2.76530262e-14  2.76530262e-14  2.76530262e-14 -7.58578299e-31
  4.47225281e-64  1.78477054e-65]
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