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 15:00:13       -6.471513         0.401208
BFGS:    1 15:00:14       -6.477345         0.331926
BFGS:    2 15:00:14       -6.489845         0.031756
BFGS:    3 15:00:14       -6.489889         0.015145
BFGS:    4 15:00:14       -6.489894         0.012988
BFGS:    5 15:00:14       -6.489928         0.014633
BFGS:    6 15:00:14       -6.489966         0.015694
BFGS:    7 15:00:14       -6.490002         0.009839
BFGS:    8 15:00:14       -6.490013         0.003381
BFGS:    9 15:00:14       -6.490014         0.000489
BFGS:   10 15:00:14       -6.490014         0.000019
BFGS:   11 15:00:14       -6.490014         0.000002
BFGS:   12 15:00:14       -6.490014         0.000000
BFGS:   13 15:00:14       -6.490014         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.669244937320483e-33 eV/Angstrom
Maximum stress component: 1.6047454351796366e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[1.71193773e-33 2.39671282e-33 9.59979682e-33]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.572240104320085, -2.4979364181253372e-18, 1.3267705867153977e-17], [-2.2861200521600424, 3.9596760825432065, 1.8902060010516698e-17], [1.6076443171256705e-17, 1.294495417529245e-15, 5.599827618100774]])
forces =  [[ 6.26191227e-33  1.76945539e-48  7.66924494e-33]
 [-6.26191227e-33 -1.76945539e-48 -7.66924494e-33]
 [ 2.20174957e-50  1.77287644e-48  7.66924494e-33]]
stress =  [-6.83886458e-12 -6.83886458e-12 -1.60474544e-11 -7.44729113e-27
 -3.09711413e-27 -2.85148609e-29]
energy per atom =  -2.163338005561558
===============================================
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.