element(s):
['Te', 'Zn']
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:
['5.7184']
model name:
Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te', 'Zn']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.7184, 0, 0], [0, 5.7184, 0], [0, 0, 5.7184]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:39:01      -18.826030        0.7848
BFGS:    1 14:39:01      -18.851678        0.7401
BFGS:    2 14:39:01      -18.947277        0.5322
BFGS:    3 14:39:01      -19.010580        0.3093
BFGS:    4 14:39:01      -19.039281        0.0706
BFGS:    5 14:39:01      -19.040780        0.0032
BFGS:    6 14:39:01      -19.040783        0.0000
BFGS:    7 14:39:01      -19.040783        0.0000
BFGS:    8 14:39:01      -19.040783        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.567281792835924e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te', 'Zn', 'Zn', 'Zn', 'Zn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.10189790e-33 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 4.89340968e-49]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [4.35989985e-66 1.10189790e-33 5.00000000e-01]]
cellpar =  Cell([[5.593055240207118, -2.858520181777243e-32, 2.850278648490312e-32], [-2.213014539508105e-32, 5.593055240207118, -5.249881204731595e-17], [2.8641765813570627e-32, -5.249881204731588e-17, 5.593055240207118]])
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 =  [-3.56728179e-15 -3.56728179e-15 -3.56728179e-15 -6.85273123e-31
  2.78672014e-63 -1.19040628e-63]
energy per atom =  -2.3800979129289153
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0