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 11:14:40      -18.826030         0.784817
BFGS:    1 11:14:40      -18.851678         0.740115
BFGS:    2 11:14:40      -18.947277         0.532150
BFGS:    3 11:14:40      -19.010580         0.309333
BFGS:    4 11:14:40      -19.039281         0.070585
BFGS:    5 11:14:40      -19.040780         0.003215
BFGS:    6 11:14:41      -19.040783         0.000032
BFGS:    7 11:14:41      -19.040783         0.000000
BFGS:    8 11:14:41      -19.040783         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.565999481835607e-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]
 [6.11676210e-50 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 4.58255879e-66 4.89340968e-49]
 [6.11676210e-50 5.00000000e-01 0.00000000e+00]
 [1.22335242e-49 1.10189790e-33 5.00000000e-01]]
cellpar =  Cell([[5.593055240207118, -5.8107374761433175e-33, 2.4709790545309126e-32], [-3.281310533046607e-33, 5.593055240207118, -5.237759792575095e-17], [-9.593607677453763e-33, -5.237759792575087e-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 =  [-3.56599948e-15 -3.56599948e-15 -3.56599948e-15 -1.64256409e-30
  9.83988346e-63 -1.23420767e-64]
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