element(s):
['Te']
AFLOW prototype label:
A_oP4_26_2a
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1928', '1.4212917', '2.8468429', '0.52848987', '0.76041348', '0.98792313', '0.0095865201']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te', 'Te']
representative atom coordinates =  [[0.         0.52848987 0.76041348]
 [0.         0.98792313 0.00958652]]
spacegroup =  26
cell =  [[3.1928, 0, 0], [0, 4.5379, 0], [0, 0, 9.0894]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:03:35       -6.608869        4.0001
BFGS:    1 17:03:36       -7.124547        3.0116
BFGS:    2 17:03:36       -7.503413        2.0889
BFGS:    3 17:03:36       -7.754889        1.2318
BFGS:    4 17:03:36       -7.888302        0.4403
BFGS:    5 17:03:36       -7.917351        0.2727
BFGS:    6 17:03:36       -7.920488        0.2285
BFGS:    7 17:03:36       -7.927885        0.1499
BFGS:    8 17:03:36       -7.930683        0.0916
BFGS:    9 17:03:36       -7.931349        0.0264
BFGS:   10 17:03:36       -7.931394        0.0109
BFGS:   11 17:03:36       -7.931399        0.0114
BFGS:   12 17:03:36       -7.931409        0.0099
BFGS:   13 17:03:36       -7.931416        0.0066
BFGS:   14 17:03:36       -7.931420        0.0072
BFGS:   15 17:03:36       -7.931422        0.0083
BFGS:   16 17:03:36       -7.931427        0.0087
BFGS:   17 17:03:36       -7.931435        0.0078
BFGS:   18 17:03:36       -7.931445        0.0055
BFGS:   19 17:03:36       -7.931451        0.0061
BFGS:   20 17:03:36       -7.931454        0.0043
BFGS:   21 17:03:36       -7.931455        0.0025
BFGS:   22 17:03:36       -7.931456        0.0019
BFGS:   23 17:03:36       -7.931457        0.0011
BFGS:   24 17:03:36       -7.931457        0.0006
BFGS:   25 17:03:36       -7.931457        0.0004
BFGS:   26 17:03:36       -7.931457        0.0003
BFGS:   27 17:03:36       -7.931457        0.0002
BFGS:   28 17:03:36       -7.931457        0.0001
BFGS:   29 17:03:36       -7.931457        0.0000
BFGS:   30 17:03:36       -7.931457        0.0000
BFGS:   31 17:03:36       -7.931457        0.0000
BFGS:   32 17:03:36       -7.931457        0.0000
Minimization converged after 32 steps.
Maximum force component: 9.225177737166855e-09 eV/Angstrom
Maximum stress component: 1.7175108473976792e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te']
basis =  [[1.02855756e-38 5.00000000e-01 7.60000000e-01]
 [2.67622272e-35 5.00000000e-01 2.60000000e-01]
 [3.02663608e-36 1.00000000e+00 1.00000000e-02]
 [6.74733757e-36 3.13698062e-10 5.10000000e-01]]
cellpar =  Cell([3.3769940216860026, 4.775790744753551, 9.551581493771225])
forces =  [[ 0.00000000e+00 -2.90716302e-09 -6.33138529e-10]
 [ 0.00000000e+00  2.90716302e-09 -6.33138529e-10]
 [ 0.00000000e+00  9.22517774e-09  6.33138438e-10]
 [ 0.00000000e+00 -9.22517774e-09  6.33138438e-10]]
stress =  [-1.71751085e-10 -1.15286576e-10 -7.21925474e-11  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -1.9828642210770282
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP4_26_2a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.