element(s):
['Te']
AFLOW prototype label:
A_hR1_166_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5333378', '1.216872']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0 0 0]]
spacegroup =  166
cell =  [[4.5333, 0, 0], [-2.26665, 3.925952962976, 0], [0, 0, 5.5165]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:52:44       -5.018258        3.9272
BFGS:    1 15:52:44       -5.507264        2.6187
BFGS:    2 15:52:44       -5.808248        1.4318
BFGS:    3 15:52:44       -5.939245        0.3643
BFGS:    4 15:52:44       -5.948404        0.0394
BFGS:    5 15:52:44       -5.948457        0.0145
BFGS:    6 15:52:44       -5.948462        0.0126
BFGS:    7 15:52:44       -5.948514        0.0181
BFGS:    8 15:52:44       -5.948556        0.0181
BFGS:    9 15:52:44       -5.948587        0.0089
BFGS:   10 15:52:44       -5.948592        0.0024
BFGS:   11 15:52:44       -5.948593        0.0002
BFGS:   12 15:52:44       -5.948593        0.0000
BFGS:   13 15:52:44       -5.948593        0.0000
BFGS:   14 15:52:44       -5.948593        0.0000
BFGS:   15 15:52:44       -5.948593        0.0000
Minimization converged after 15 steps.
Maximum force component: 3.0040014441160405e-33 eV/Angstrom
Maximum stress component: 8.101052135932427e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[8.37837799e-33 0.00000000e+00 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.775790746058458, 3.417738233848993e-17, 5.20714674874561e-17], [-2.387895373029229, 4.135956109245258, 5.748576829016723e-17], [6.299184639444992e-17, 1.4314876683848905e-15, 5.849125222994176]])
forces =  [[-2.15676237e-50 -4.90123549e-49 -2.00266763e-33]
 [-3.23514355e-50 -7.35185324e-49 -3.00400144e-33]
 [-2.15676237e-50 -4.90123549e-49 -2.00266763e-33]]
stress =  [-6.77535419e-12 -6.77535419e-12 -8.10105214e-12 -2.78350669e-27
 -1.43401479e-27  3.00679425e-27]
energy per atom =  -1.9828642210770264
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR1_166_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.