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 14:26:02      -17.060352        0.4386
BFGS:    1 14:26:03      -17.068285        0.4055
BFGS:    2 14:26:03      -17.110378        0.1625
BFGS:    3 14:26:03      -17.119452        0.0208
BFGS:    4 14:26:03      -17.119614        0.0011
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: 1.484451529729887e-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]
 [2.76766319e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.89513965e-36 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 2.76766319e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [1.77397471e-69 3.89513965e-36 5.00000000e-01]]
cellpar =  Cell([[6.180554856290946, 2.4472452226891648e-33, -1.552447071781845e-33], [-2.8148279556315993e-33, 6.180554856290946, 3.1439907728329844e-19], [-8.920922232453065e-36, 3.143990772833271e-19, 6.180554856290946]])
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 =  [-1.48445153e-10 -1.48445153e-10 -1.48445153e-10  4.40340347e-26
 -5.37791927e-35  1.60158577e-50]
energy per atom =  -2.1399517713889846
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0