element(s):
['Te']
AFLOW prototype label:
A_hP3_152_a
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5029', '1.3245464', '0.73005065']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0.26994935 0.         0.33333333]]
spacegroup =  152
cell =  [[4.5029, 0, 0], [-2.25145, 3.8996257907009, 0], [0, 0, 5.9643]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:55:28       -4.414579         3.341674
BFGS:    1 10:55:28       -5.055309         2.415246
BFGS:    2 10:55:28       -5.473111         1.675767
BFGS:    3 10:55:28       -5.710417         1.087998
BFGS:    4 10:55:28       -5.832706         0.618168
BFGS:    5 10:55:28       -5.887968         0.697910
BFGS:    6 10:55:28       -5.907195         0.627100
BFGS:    7 10:55:28       -5.920139         0.394819
BFGS:    8 10:55:28       -5.924238         0.216227
BFGS:    9 10:55:28       -5.926314         0.168820
BFGS:   10 10:55:28       -5.928428         0.217221
BFGS:   11 10:55:28       -5.932382         0.248905
BFGS:   12 10:55:28       -5.938985         0.232802
BFGS:   13 10:55:28       -5.945727         0.139196
BFGS:   14 10:55:29       -5.948333         0.047896
BFGS:   15 10:55:29       -5.948580         0.009303
BFGS:   16 10:55:29       -5.948593         0.000349
BFGS:   17 10:55:29       -5.948593         0.000054
BFGS:   18 10:55:29       -5.948593         0.000003
BFGS:   19 10:55:29       -5.948593         0.000000
BFGS:   20 10:55:29       -5.948593         0.000000
BFGS:   21 10:55:29       -5.948593         0.000000
Minimization converged after 21 steps.
Maximum force component: 1.1561165062208586e-09 eV/Angstrom
Maximum stress component: 1.4300170137372372e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[0.33333333 0.         0.33333333]
 [1.         0.33333333 0.66666666]
 [0.66666667 0.66666667 1.        ]]
cellpar =  Cell([[4.775790746040876, 1.6696207397354973e-17, -2.2547610850722702e-38], [-2.387895373020438, 4.135956109230035, 2.7640414185563513e-37], [-3.0685480644894437e-38, -5.729735904219456e-38, 5.849125223238497]])
forces =  [[ 1.15611651e-09  4.04179370e-27 -5.45829298e-48]
 [-5.78058253e-10  1.00122626e-09  6.69115143e-47]
 [-5.78058253e-10 -1.00122626e-09 -6.14532213e-47]]
stress =  [ 1.12384166e-11  1.12384166e-11  1.43001701e-11  1.75212187e-48
  1.01284179e-48 -1.64487722e-27]
energy per atom =  -1.982864221077028
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hP3_152_a, 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.