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_CdTe__SM_509819366101_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 20:18:47      -17.060352         0.438637
BFGS:    1 20:18:47      -17.068285         0.405494
BFGS:    2 20:18:47      -17.110378         0.162500
BFGS:    3 20:18:47      -17.119452         0.020816
BFGS:    4 20:18:47      -17.119614         0.001106
BFGS:    5 20:18:47      -17.119614         0.000020
BFGS:    6 20:18:47      -17.119614         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4844482232314125e-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]
 [6.64239165e-49 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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.10706527e-49 9.73784914e-37 5.00000000e-01]]
cellpar =  Cell([[6.180554856290947, -2.869506775745412e-33, -8.988045862639724e-33], [1.7472477393859723e-32, 6.180554856290947, 7.84673672732644e-20], [7.94666419282536e-33, 7.846736727325715e-20, 6.180554856290947]])
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 =  [-1.48444822e-10 -1.48444822e-10 -1.48444822e-10  1.87057437e-28
  2.15116771e-34 -1.80297115e-51]
energy per atom =  -2.139951771388984
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0