element(s):
['Te']
AFLOW prototype label:
A_oC2_65_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.027', '2.7281797', '0.99362405']
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 =  65
cell =  [[3.027, 0, 0], [0, 8.2582, 0], [0, 0, 3.0077]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:33:35       -1.474593        7.4788
BFGS:    1 16:33:35       -2.079004        5.4212
BFGS:    2 16:33:35       -2.501915        3.5477
BFGS:    3 16:33:35       -2.756572        1.8854
BFGS:    4 16:33:35       -2.863602        0.4428
BFGS:    5 16:33:36       -2.870130        0.0512
BFGS:    6 16:33:36       -2.870193        0.0087
BFGS:    7 16:33:36       -2.870195        0.0063
BFGS:    8 16:33:36       -2.870196        0.0010
BFGS:    9 16:33:36       -2.870196        0.0008
BFGS:   10 16:33:36       -2.870196        0.0008
BFGS:   11 16:33:36       -2.870196        0.0009
BFGS:   12 16:33:36       -2.870196        0.0019
BFGS:   13 16:33:36       -2.870197        0.0038
BFGS:   14 16:33:36       -2.870198        0.0085
BFGS:   15 16:33:36       -2.870516        0.0607
BFGS:   16 16:33:36       -2.874480        0.2506
BFGS:   17 16:33:36       -2.895475        0.8979
BFGS:   18 16:33:36       -2.972546        2.2434
BFGS:   19 16:33:36       -3.121551        3.6540
BFGS:   20 16:33:36       -3.330202        4.5416
BFGS:   21 16:33:36       -3.561287        4.5266
BFGS:   22 16:33:36       -3.765510        3.4812
BFGS:   23 16:33:36       -3.896893        1.5705
BFGS:   24 16:33:36       -3.937575        2.2632
BFGS:   25 16:33:36       -3.956810        1.9622
BFGS:   26 16:33:36       -4.032446        0.8743
BFGS:   27 16:33:36       -4.070884        0.3109
BFGS:   28 16:33:36       -4.077181        0.1221
BFGS:   29 16:33:36       -4.077569        0.0154
BFGS:   30 16:33:36       -4.077573        0.0008
BFGS:   31 16:33:36       -4.077573        0.0001
BFGS:   32 16:33:36       -4.077573        0.0000
BFGS:   33 16:33:36       -4.077573        0.0000
BFGS:   34 16:33:36       -4.077573        0.0000
BFGS:   35 16:33:36       -4.077573        0.0000
BFGS:   36 16:33:36       -4.077573        0.0000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.715571050566133e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.545973562610997, -3.249248303926156e-36, 0.0], [-2.0993767347458495e-34, 6.141806373637484, 0.0], [0.0, 0.0, 3.3744413966356746]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.71557105e-11 -4.38916411e-11 -5.29332956e-11  0.00000000e+00
  0.00000000e+00  1.17992701e-45]
energy per atom =  -2.0387863872937912
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC2_65_a, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.