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_2013_CdZnTe__SM_010061267051_000
==== 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 15:00:15       -6.471512         0.401204
BFGS:    1 15:00:15       -6.477344         0.331909
BFGS:    2 15:00:15       -6.489843         0.031818
BFGS:    3 15:00:15       -6.489887         0.015190
BFGS:    4 15:00:15       -6.489893         0.012989
BFGS:    5 15:00:15       -6.489926         0.014586
BFGS:    6 15:00:15       -6.489963         0.015798
BFGS:    7 15:00:15       -6.490000         0.010123
BFGS:    8 15:00:15       -6.490011         0.003538
BFGS:    9 15:00:15       -6.490013         0.000536
BFGS:   10 15:00:15       -6.490013         0.000019
BFGS:   11 15:00:15       -6.490013         0.000002
BFGS:   12 15:00:16       -6.490013         0.000000
BFGS:   13 15:00:16       -6.490013         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.2270803246281136e-31 eV/Angstrom
Maximum stress component: 2.022561554537946e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 1.81465399e-32]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]]
cellpar =  Cell([[4.572244332259773, 1.1976818660721555e-17, 1.326852663613093e-17], [-2.2861221661298865, 3.9596797440463813, 1.8902889195047707e-17], [1.6077422502459794e-17, 1.2944982895506498e-15, 5.599832796155084]])
forces =  [[ 1.72202747e-32  2.71149006e-33 -7.66925203e-33]
 [ 7.82739758e-33 -2.71149006e-33  1.22708032e-31]
 [ 1.25238361e-32  3.28057084e-50  3.63438262e-50]]
stress =  [-9.05122649e-12 -9.05122649e-12 -2.02256155e-11 -9.28646805e-27
 -3.90224275e-27  4.60374996e-28]
energy per atom =  -2.163337603696609
===============================================
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.