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:
Sim_LAMMPS_BOP_WardZhouWong_2012_CdZnTe__SM_409035133405_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 14:26:03      -17.060353        0.4386
BFGS:    1 14:26:03      -17.068286        0.4055
BFGS:    2 14:26:03      -17.110378        0.1625
BFGS:    3 14:26:03      -17.119453        0.0208
BFGS:    4 14:26:03      -17.119614        0.0012
BFGS:    5 14:26:03      -17.119614        0.0000
BFGS:    6 14:26:03      -17.119614        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2714461478642783e-10 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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.73783516e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.89513406e-36]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.53531843e-50]
 [8.85650949e-49 5.00000000e-01 1.94756703e-36]
 [9.85693250e-69 1.46067527e-36 5.00000000e-01]]
cellpar =  Cell([[6.1805637253092645, -6.637006662640561e-33, 4.07181102690814e-33], [-4.1707695430832464e-32, 6.1805637253092645, 3.6293888279100194e-20], [-4.000549837707339e-32, 3.629388827915071e-20, 6.1805637253092645]])
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 =  [-1.27144615e-10 -1.27144615e-10 -1.27144615e-10 -7.45787935e-27
  2.06437203e-58 -2.23209018e-59]
energy per atom =  -2.1399517986413175
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0