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_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
==== 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       -6.269546        0.4211
BFGS:    1 15:52:44       -6.276157        0.3513
BFGS:    2 15:52:44       -6.290619        0.0266
BFGS:    3 15:52:44       -6.290634        0.0175
BFGS:    4 15:52:44       -6.290643        0.0141
BFGS:    5 15:52:44       -6.290689        0.0167
BFGS:    6 15:52:44       -6.290731        0.0158
BFGS:    7 15:52:44       -6.290762        0.0077
BFGS:    8 15:52:44       -6.290768        0.0022
BFGS:    9 15:52:44       -6.290768        0.0002
BFGS:   10 15:52:44       -6.290768        0.0000
BFGS:   11 15:52:44       -6.290768        0.0000
BFGS:   12 15:52:44       -6.290768        0.0000
BFGS:   13 15:52:44       -6.290768        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.375866975516788e-32 eV/Angstrom
Maximum stress component: 1.1176801541907462e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 1.23259516e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.472488490650967, -5.46606742503392e-18, -6.1864166871281105e-18], [-2.2362442453254836, 3.8732886510372584, -4.310364172434646e-19], [-7.465360247454857e-18, 1.2264264480423178e-15, 5.4776573411897775]])
forces =  [[-9.18794614e-33 -5.30466318e-33 -3.37586698e-32]
 [-3.06264871e-33  5.30466318e-33 -5.90326004e-52]
 [-1.22505949e-32 -6.70363816e-48 -3.00077064e-32]]
stress =  [-8.58180327e-12 -8.58180327e-12 -1.11768015e-11 -4.45232342e-27
 -2.23156799e-27 -1.35255378e-27]
energy per atom =  -2.09692280309117
===============================================
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.