element(s):
['Cd', 'Te']
AFLOW prototype label:
AB_oP2_25_a_b
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0643', '2.0790393', '1.0066899', '0.10100146', '0.14899854']
model name:
SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Te']
representative atom coordinates =  [[0.         0.         0.10100146]
 [0.         0.5        0.14899854]]
spacegroup =  25
cell =  [[3.0643, 0, 0], [0, 6.3708, 0], [0, 0, 3.0848]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:22:56       -3.007125        1.7144
BFGS:    1 16:22:56       -3.075363        1.3233
BFGS:    2 16:22:56       -3.161754        0.5833
BFGS:    3 16:22:56       -3.184799        0.2477
BFGS:    4 16:22:56       -3.185978        0.2144
BFGS:    5 16:22:56       -3.187355        0.1094
BFGS:    6 16:22:56       -3.187854        0.0326
BFGS:    7 16:22:56       -3.187952        0.0133
BFGS:    8 16:22:56       -3.187963        0.0134
BFGS:    9 16:22:56       -3.187973        0.0134
BFGS:   10 16:22:56       -3.188007        0.0158
BFGS:   11 16:22:56       -3.188081        0.0293
BFGS:   12 16:22:56       -3.188242        0.0452
BFGS:   13 16:22:56       -3.188494        0.0516
BFGS:   14 16:22:56       -3.188750        0.0358
BFGS:   15 16:22:56       -3.188874        0.0134
BFGS:   16 16:22:56       -3.188886        0.0035
BFGS:   17 16:22:56       -3.188886        0.0018
BFGS:   18 16:22:56       -3.188886        0.0015
BFGS:   19 16:22:56       -3.188886        0.0010
BFGS:   20 16:22:56       -3.188886        0.0003
BFGS:   21 16:22:56       -3.188886        0.0001
BFGS:   22 16:22:56       -3.188886        0.0000
BFGS:   23 16:22:56       -3.188886        0.0000
BFGS:   24 16:22:56       -3.188886        0.0000
BFGS:   25 16:22:56       -3.188886        0.0000
Minimization converged after 25 steps.
Maximum force component: 6.616206067677477e-11 eV/Angstrom
Maximum stress component: 1.541929057141468e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Te']
basis =  [[0.    0.    0.125]
 [0.    0.5   0.125]]
cellpar =  Cell([3.25081773927639, 6.3071956993816425, 3.2508177392342326])
forces =  [[ 0.00000000e+00  0.00000000e+00 -6.61620607e-11]
 [ 0.00000000e+00  0.00000000e+00  6.61620563e-11]]
stress =  [-5.25859839e-12 -1.54192906e-11 -1.36521156e-11  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -1.5944431542258177
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_oP2_25_a_b, while relaxed is AB_tP2_123_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.