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 16:01:11       -5.018258         3.927221
BFGS:    1 16:01:11       -5.507264         2.618706
BFGS:    2 16:01:11       -5.808248         1.431831
BFGS:    3 16:01:11       -5.939245         0.364282
BFGS:    4 16:01:11       -5.948404         0.039436
BFGS:    5 16:01:11       -5.948457         0.014515
BFGS:    6 16:01:11       -5.948462         0.012632
BFGS:    7 16:01:11       -5.948514         0.018103
BFGS:    8 16:01:11       -5.948556         0.018128
BFGS:    9 16:01:11       -5.948587         0.008912
BFGS:   10 16:01:11       -5.948592         0.002355
BFGS:   11 16:01:11       -5.948593         0.000184
BFGS:   12 16:01:11       -5.948593         0.000010
BFGS:   13 16:01:11       -5.948593         0.000001
BFGS:   14 16:01:11       -5.948593         0.000000
BFGS:   15 16:01:11       -5.948593         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.2429877449399775e-31 eV/Angstrom
Maximum stress component: 8.101184719625125e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[0.00000000e+00 1.02716264e-33 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.7757907460584565, 1.3028089634075244e-17, 5.207146748745643e-17], [-2.3878953730292283, 4.135956109245258, 5.748576829016795e-17], [6.29918463944504e-17, 1.4314876683848918e-15, 5.849125222994177]])
forces =  [[ 1.30813702e-32  1.20437122e-47  4.90653569e-32]
 [-1.96220553e-32  2.26575978e-32  2.24298774e-31]
 [ 1.30813702e-32  1.57196388e-47  6.40853641e-32]]
stress =  [-6.77551679e-12 -6.77551679e-12 -8.10118472e-12 -2.78354140e-27
 -1.43404084e-27 -1.40162341e-30]
energy per atom =  -1.9828642210770282
===============================================
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.