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_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
==== 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       -8.287210        0.5287
BFGS:    1 17:03:35       -8.301564        0.4665
BFGS:    2 17:03:35       -8.362223        0.2589
BFGS:    3 17:03:35       -8.370247        0.1932
BFGS:    4 17:03:35       -8.372700        0.1709
BFGS:    5 17:03:35       -8.384538        0.1365
BFGS:    6 17:03:35       -8.386855        0.0632
BFGS:    7 17:03:35       -8.387256        0.0219
BFGS:    8 17:03:35       -8.387306        0.0217
BFGS:    9 17:03:35       -8.387397        0.0206
BFGS:   10 17:03:35       -8.387515        0.0232
BFGS:   11 17:03:35       -8.387614        0.0211
BFGS:   12 17:03:35       -8.387648        0.0140
BFGS:   13 17:03:35       -8.387657        0.0128
BFGS:   14 17:03:35       -8.387664        0.0112
BFGS:   15 17:03:35       -8.387674        0.0066
BFGS:   16 17:03:35       -8.387681        0.0061
BFGS:   17 17:03:35       -8.387684        0.0045
BFGS:   18 17:03:35       -8.387684        0.0033
BFGS:   19 17:03:35       -8.387685        0.0028
BFGS:   20 17:03:35       -8.387686        0.0035
BFGS:   21 17:03:35       -8.387689        0.0035
BFGS:   22 17:03:35       -8.387690        0.0021
BFGS:   23 17:03:35       -8.387691        0.0007
BFGS:   24 17:03:35       -8.387691        0.0002
BFGS:   25 17:03:35       -8.387691        0.0002
BFGS:   26 17:03:35       -8.387691        0.0001
BFGS:   27 17:03:35       -8.387691        0.0001
BFGS:   28 17:03:35       -8.387691        0.0001
BFGS:   29 17:03:35       -8.387691        0.0000
BFGS:   30 17:03:35       -8.387691        0.0000
BFGS:   31 17:03:35       -8.387691        0.0000
BFGS:   32 17:03:35       -8.387691        0.0000
BFGS:   33 17:03:35       -8.387691        0.0000
Minimization converged after 33 steps.
Maximum force component: 2.5570664162742653e-10 eV/Angstrom
Maximum stress component: 4.750804766053333e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te']
basis =  [[8.46355933e-37 5.00000000e-01 7.60000000e-01]
 [0.00000000e+00 5.00000000e-01 2.60000000e-01]
 [3.18095236e-36 1.31095135e-11 1.00000001e-02]
 [1.64569209e-37 1.00000000e+00 5.10000000e-01]]
cellpar =  Cell([3.1625269404400087, 4.472488491489079, 8.944976980124727])
forces =  [[ 2.48388532e-34 -2.55706642e-10  2.30863344e-10]
 [ 0.00000000e+00  2.55706642e-10  2.30863344e-10]
 [ 3.04540267e-34 -1.91296655e-10 -2.30863377e-10]
 [ 0.00000000e+00  1.91296655e-10 -2.30863377e-10]]
stress =  [-1.93108936e-11  4.75080477e-11 -1.29973882e-12  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -2.0969228030911684
===============================================
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.