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_2012_CdZnTe__SM_409035133405_001
==== 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 12:16:17      -18.826030         0.784817
BFGS:    1 12:16:17      -18.851678         0.740115
BFGS:    2 12:16:18      -18.947277         0.532150
BFGS:    3 12:16:18      -19.010580         0.309333
BFGS:    4 12:16:18      -19.039281         0.070585
BFGS:    5 12:16:18      -19.040780         0.003215
BFGS:    6 12:16:18      -19.040783         0.000032
BFGS:    7 12:16:18      -19.040783         0.000000
BFGS:    8 12:16:19      -19.040783         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.100343052263541e-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 0.00000000e+00 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 5.73446446e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.22335242e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.59305524020712, -1.7734235420639435e-32, 6.283804726821849e-35], [-8.48495464618986e-33, 5.59305524020712, -2.055652733070234e-17], [9.939947464300145e-33, -2.0556527330702344e-17, 5.59305524020712]])
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 =  [-3.10034305e-15 -3.10034305e-15 -3.10034305e-15 -7.87455675e-31
  6.56706012e-35  1.32364848e-50]
energy per atom =  -2.380097912928916
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0