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 14:23:49      -13.787039        1.2453
BFGS:    1 14:23:49      -13.851599        1.1740
BFGS:    2 14:23:49      -14.012525        0.9715
BFGS:    3 14:23:50      -14.143081        0.7697
BFGS:    4 14:23:50      -14.243603        0.5713
BFGS:    5 14:23:50      -14.314662        0.3769
BFGS:    6 14:23:50      -14.356871        0.1866
BFGS:    7 14:23:50      -14.370846        0.0040
BFGS:    8 14:23:50      -14.370852        0.0000
BFGS:    9 14:23:50      -14.370852        0.0000
BFGS:   10 14:23:50      -14.370852        0.0000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4732247795197715e-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]
 [8.61905024e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.51627935e-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 6.46428768e-49 0.00000000e+00]
 [6.46428768e-49 5.00000000e-01 9.09767612e-35]
 [0.00000000e+00 4.70046599e-34 5.00000000e-01]]
cellpar =  Cell([[6.350841423127215, 2.086988002485542e-32, -8.066307880321163e-32], [2.2585275526468172e-32, 6.350841423127215, 1.664364909681043e-18], [-1.5794544787332222e-32, 1.6643649096809982e-18, 6.350841423127215]])
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 =  [-1.47322478e-15 -1.47322478e-15 -1.47322478e-15 -3.87304832e-31
 -4.77505027e-35  2.84230392e-51]
energy per atom =  -1.7963565535509485
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0