element(s):
['Cd', 'Se']
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:
['5.7212']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.7212, 0, 0], [0, 5.7212, 0], [0, 0, 5.7212]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:19:13      -14.337532         2.360753
BFGS:    1 20:19:13      -14.564246         2.120479
BFGS:    2 20:19:13      -14.855371         1.760601
BFGS:    3 20:19:13      -15.092345         1.399151
BFGS:    4 20:19:13      -15.275252         1.040384
BFGS:    5 20:19:13      -15.404767         0.687677
BFGS:    6 20:19:13      -15.481948         0.342791
BFGS:    7 20:19:13      -15.508027         0.008510
BFGS:    8 20:19:13      -15.508043         0.000115
BFGS:    9 20:19:13      -15.508043         0.000000
BFGS:   10 20:19:13      -15.508043         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.649458311514104e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.37750954e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.16979288e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.16979288e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.59169847e-49 0.00000000e+00]
 [9.18339695e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.960563567900741, -3.0716069793285643e-32, 1.5066660735842784e-32], [-3.821844449781523e-32, 5.960563567900741, -1.8720443674196728e-17], [1.081622043472618e-33, -1.8720443674196712e-17, 5.960563567900741]])
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 =  [-7.64945831e-15 -7.64945831e-15 -7.64945831e-15  4.24840368e-31
  7.22777416e-36 -2.26419258e-52]
energy per atom =  -1.9385054336613978
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0