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 15:42:53       -1.474593         7.478838
BFGS:    1 15:42:53       -2.079004         5.421215
BFGS:    2 15:42:53       -2.501915         3.547658
BFGS:    3 15:42:53       -2.756572         1.885388
BFGS:    4 15:42:53       -2.863602         0.442765
BFGS:    5 15:42:53       -2.870130         0.051236
BFGS:    6 15:42:53       -2.870193         0.008661
BFGS:    7 15:42:53       -2.870195         0.006277
BFGS:    8 15:42:53       -2.870196         0.001045
BFGS:    9 15:42:53       -2.870196         0.000816
BFGS:   10 15:42:53       -2.870196         0.000819
BFGS:   11 15:42:53       -2.870196         0.000905
BFGS:   12 15:42:53       -2.870196         0.001924
BFGS:   13 15:42:53       -2.870197         0.003846
BFGS:   14 15:42:53       -2.870198         0.008506
BFGS:   15 15:42:53       -2.870516         0.060692
BFGS:   16 15:42:53       -2.874480         0.250614
BFGS:   17 15:42:53       -2.895475         0.897917
BFGS:   18 15:42:53       -2.972546         2.243409
BFGS:   19 15:42:53       -3.121551         3.653970
BFGS:   20 15:42:53       -3.330202         4.541570
BFGS:   21 15:42:53       -3.561287         4.526576
BFGS:   22 15:42:53       -3.765510         3.481177
BFGS:   23 15:42:53       -3.896893         1.570540
BFGS:   24 15:42:53       -3.937575         2.263226
BFGS:   25 15:42:53       -3.956810         1.962160
BFGS:   26 15:42:53       -4.032446         0.874291
BFGS:   27 15:42:53       -4.070884         0.310890
BFGS:   28 15:42:53       -4.077181         0.122147
BFGS:   29 15:42:53       -4.077569         0.015449
BFGS:   30 15:42:53       -4.077573         0.000809
BFGS:   31 15:42:53       -4.077573         0.000085
BFGS:   32 15:42:53       -4.077573         0.000011
BFGS:   33 15:42:53       -4.077573         0.000005
BFGS:   34 15:42:53       -4.077573         0.000000
BFGS:   35 15:42:53       -4.077573         0.000000
BFGS:   36 15:42:53       -4.077573         0.000000
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, -3.4802415497557486e-35, 0.0], [-6.57531611701294e-35, 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  3.69556973e-46]
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.