element(s):
['Te']
AFLOW prototype label:
A_hP3_152_a
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5029', '1.3245464', '0.73005065']
model name:
SW_WangStroudMarkworth_1989_CdTe__MO_786496821446_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0.26994935 0.         0.33333333]]
spacegroup =  152
cell =  [[4.5029, 0, 0], [-2.25145, 3.8996257907009, 0], [0, 0, 5.9643]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:55:27       -5.671327         1.188454
BFGS:    1 10:55:27       -5.776319         1.068730
BFGS:    2 10:55:27       -6.013338         0.800250
BFGS:    3 10:55:27       -6.141978         0.556484
BFGS:    4 10:55:27       -6.191841         0.516816
BFGS:    5 10:55:27       -6.209861         0.558988
BFGS:    6 10:55:27       -6.250380         0.477251
BFGS:    7 10:55:28       -6.277935         0.226137
BFGS:    8 10:55:28       -6.281617         0.118875
BFGS:    9 10:55:28       -6.282433         0.155587
BFGS:   10 10:55:28       -6.283829         0.195745
BFGS:   11 10:55:28       -6.285575         0.205886
BFGS:   12 10:55:28       -6.288036         0.166304
BFGS:   13 10:55:28       -6.290038         0.078140
BFGS:   14 10:55:28       -6.290710         0.014806
BFGS:   15 10:55:28       -6.290767         0.001644
BFGS:   16 10:55:28       -6.290768         0.000232
BFGS:   17 10:55:28       -6.290768         0.000007
BFGS:   18 10:55:28       -6.290768         0.000003
BFGS:   19 10:55:28       -6.290768         0.000001
BFGS:   20 10:55:28       -6.290768         0.000000
BFGS:   21 10:55:28       -6.290768         0.000000
Minimization converged after 21 steps.
Maximum force component: 4.900867427733948e-10 eV/Angstrom
Maximum stress component: 1.0395894318530585e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te']
basis =  [[3.33333333e-01 0.00000000e+00 3.33333330e-01]
 [4.96467694e-17 3.33333333e-01 6.66666663e-01]
 [6.66666667e-01 6.66666667e-01 9.99999997e-01]]
cellpar =  Cell([[4.472488490580194, -1.521453210082205e-17, -1.0698227925230943e-37], [-2.236244245290097, 3.873288650975965, 8.173355715616572e-37], [-1.3554960085640854e-37, 3.861390465031149e-36, 5.47765734260849]])
forces =  [[ 4.90086743e-10 -1.66717936e-27  5.62644496e-33]
 [-2.45043371e-10  4.24427569e-10  8.95620702e-47]
 [-2.45043371e-10 -4.24427569e-10 -7.78391564e-47]]
stress =  [6.45049451e-11 6.45049451e-11 1.03958943e-10 1.90398481e-46
 9.28927402e-47 1.40323395e-26]
energy per atom =  -2.096922803091168
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hP3_152_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.