element(s):
['Te']
AFLOW prototype label:
A_oP4_55_g
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.1236', '0.49631724', '0.34973037', '0.12449164', '0.27231993']
model name:
SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Te']
representative atom coordinates =  [[0.12449164 0.27231993 0.        ]]
spacegroup =  55
cell =  [[9.1236, 0, 0], [0, 4.5282, 0], [0, 0, 3.1908]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:03:36       -6.616514        4.0313
BFGS:    1 17:03:36       -7.125457        3.0445
BFGS:    2 17:03:36       -7.499889        2.1228
BFGS:    3 17:03:36       -7.749540        1.2666
BFGS:    4 17:03:36       -7.883956        0.4759
BFGS:    5 17:03:36       -7.915719        0.2151
BFGS:    6 17:03:36       -7.919043        0.1827
BFGS:    7 17:03:36       -7.927071        0.1679
BFGS:    8 17:03:36       -7.930267        0.1045
BFGS:    9 17:03:36       -7.931105        0.0325
BFGS:   10 17:03:36       -7.931173        0.0217
BFGS:   11 17:03:36       -7.931188        0.0227
BFGS:   12 17:03:36       -7.931224        0.0204
BFGS:   13 17:03:36       -7.931255        0.0149
BFGS:   14 17:03:36       -7.931282        0.0167
BFGS:   15 17:03:36       -7.931304        0.0203
BFGS:   16 17:03:36       -7.931336        0.0219
BFGS:   17 17:03:36       -7.931383        0.0188
BFGS:   18 17:03:36       -7.931429        0.0098
BFGS:   19 17:03:36       -7.931450        0.0088
BFGS:   20 17:03:36       -7.931454        0.0052
BFGS:   21 17:03:36       -7.931455        0.0029
BFGS:   22 17:03:36       -7.931456        0.0019
BFGS:   23 17:03:36       -7.931457        0.0008
BFGS:   24 17:03:36       -7.931457        0.0003
BFGS:   25 17:03:36       -7.931457        0.0001
BFGS:   26 17:03:36       -7.931457        0.0000
BFGS:   27 17:03:36       -7.931457        0.0000
BFGS:   28 17:03:36       -7.931457        0.0000
BFGS:   29 17:03:36       -7.931457        0.0000
Minimization converged after 29 steps.
Maximum force component: 2.8285854552709266e-09 eV/Angstrom
Maximum stress component: 7.913003127270061e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Te', 'Te', 'Te', 'Te']
basis =  [[1.25000000e-01 2.50000000e-01 0.00000000e+00]
 [8.75000000e-01 7.50000000e-01 0.00000000e+00]
 [3.75000000e-01 7.50000000e-01 4.23177966e-36]
 [6.25000000e-01 2.50000000e-01 5.45429379e-36]]
cellpar =  Cell([[9.551581489841091, 4.148550967115034e-36, 0.0], [-2.1596822820110026e-35, 4.775790747505634, 0.0], [0.0, 0.0, 3.376994021850043]])
forces =  [[ 2.82858546e-09 -8.79582311e-10  0.00000000e+00]
 [-2.82858546e-09  8.79582311e-10  0.00000000e+00]
 [-2.82858546e-09 -8.79582311e-10  0.00000000e+00]
 [ 2.82858546e-09  8.79582311e-10  0.00000000e+00]]
stress =  [ 1.49862120e-11  6.72370124e-11 -7.91300313e-11  0.00000000e+00
  0.00000000e+00  1.08083619e-33]
energy per atom =  -1.9828642210770258
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oP4_55_g, 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.