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:
Sim_LAMMPS_BOP_WardZhouWong_2012_CdTe__SM_509819366101_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 15:52:21       -6.471513        0.4012
BFGS:    1 15:52:21       -6.477345        0.3319
BFGS:    2 15:52:21       -6.489845        0.0318
BFGS:    3 15:52:21       -6.489889        0.0151
BFGS:    4 15:52:21       -6.489894        0.0130
BFGS:    5 15:52:21       -6.489928        0.0146
BFGS:    6 15:52:21       -6.489966        0.0157
BFGS:    7 15:52:21       -6.490002        0.0098
BFGS:    8 15:52:21       -6.490013        0.0034
BFGS:    9 15:52:21       -6.490014        0.0005
BFGS:   10 15:52:21       -6.490014        0.0000
BFGS:   11 15:52:21       -6.490014        0.0000
BFGS:   12 15:52:21       -6.490014        0.0000
BFGS:   13 15:52:21       -6.490014        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.757147362064328e-32 eV/Angstrom
Maximum stress component: 1.604772593226338e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[2.80593922e-41 0.00000000e+00 5.13581319e-33]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.572240104320085, -2.3033206363784003e-18, 1.3267705867153882e-17], [-2.2861200521600424, 3.959676082543205, 1.8902060010516802e-17], [1.6076443171256582e-17, 1.2944954175292445e-15, 5.599827618100772]])
forces =  [[ 3.75714736e-32 -2.16919004e-32  1.91731123e-32]
 [-2.50476491e-32  2.16919004e-32 -1.53384899e-32]
 [ 3.75714736e-32 -2.16919004e-32  1.53384899e-32]]
stress =  [-6.83914136e-12 -6.83914136e-12 -1.60477259e-11 -7.44737991e-27
 -3.09716592e-27  2.10749052e-27]
energy per atom =  -2.1633380055615583
===============================================
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.