element(s):
['Cd', 'Te']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.1081']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.1081, 0, 0], [0, 6.1081, 0], [0, 0, 6.1081]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:19:06      -13.787039         1.245286
BFGS:    1 19:19:06      -13.851599         1.173963
BFGS:    2 19:19:06      -14.012525         0.971477
BFGS:    3 19:19:06      -14.143081         0.769686
BFGS:    4 19:19:06      -14.243603         0.571261
BFGS:    5 19:19:06      -14.314662         0.376874
BFGS:    6 19:19:06      -14.356871         0.186608
BFGS:    7 19:19:06      -14.370846         0.004044
BFGS:    8 19:19:06      -14.370852         0.000046
BFGS:    9 19:19:06      -14.370852         0.000000
BFGS:   10 19:19:06      -14.370852         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1120979862194985e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.21302348e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 3.63907045e-34]
 [0.00000000e+00 4.85209393e-34 5.00000000e-01]]
cellpar =  Cell([[6.350841423127218, 1.0387738639284955e-32, 4.943255321921488e-32], [-1.649722193618746e-32, 6.350841423127218, 1.0116171104485558e-17], [1.0547029515952409e-32, 1.0116171104485589e-17, 6.350841423127218]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.11209799e-15 -1.11209799e-15 -1.11209799e-15 -6.20505262e-31
  0.00000000e+00 -3.91061604e-64]
energy per atom =  -1.7963565535509498
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0