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 12:01:40       -3.007125         1.714434
BFGS:    1 12:01:40       -3.075363         1.323266
BFGS:    2 12:01:40       -3.161754         0.583286
BFGS:    3 12:01:40       -3.184799         0.247702
BFGS:    4 12:01:40       -3.185978         0.214409
BFGS:    5 12:01:40       -3.187355         0.109426
BFGS:    6 12:01:40       -3.187854         0.032621
BFGS:    7 12:01:40       -3.187952         0.013323
BFGS:    8 12:01:40       -3.187963         0.013364
BFGS:    9 12:01:40       -3.187973         0.013377
BFGS:   10 12:01:40       -3.188007         0.015794
BFGS:   11 12:01:40       -3.188081         0.029299
BFGS:   12 12:01:40       -3.188242         0.045219
BFGS:   13 12:01:40       -3.188494         0.051615
BFGS:   14 12:01:40       -3.188750         0.035843
BFGS:   15 12:01:40       -3.188874         0.013363
BFGS:   16 12:01:40       -3.188886         0.003458
BFGS:   17 12:01:40       -3.188886         0.001829
BFGS:   18 12:01:40       -3.188886         0.001535
BFGS:   19 12:01:40       -3.188886         0.001024
BFGS:   20 12:01:40       -3.188886         0.000299
BFGS:   21 12:01:40       -3.188886         0.000083
BFGS:   22 12:01:40       -3.188886         0.000013
BFGS:   23 12:01:40       -3.188886         0.000001
BFGS:   24 12:01:40       -3.188886         0.000000
BFGS:   25 12:01:40       -3.188886         0.000000
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.