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 14:57:22       -6.616514         4.031349
BFGS:    1 14:57:22       -7.125457         3.044466
BFGS:    2 14:57:23       -7.499889         2.122792
BFGS:    3 14:57:23       -7.749540         1.266579
BFGS:    4 14:57:23       -7.883956         0.475853
BFGS:    5 14:57:23       -7.915719         0.215076
BFGS:    6 14:57:23       -7.919043         0.182699
BFGS:    7 14:57:23       -7.927071         0.167880
BFGS:    8 14:57:23       -7.930267         0.104506
BFGS:    9 14:57:23       -7.931105         0.032453
BFGS:   10 14:57:23       -7.931173         0.021702
BFGS:   11 14:57:23       -7.931188         0.022747
BFGS:   12 14:57:23       -7.931224         0.020414
BFGS:   13 14:57:23       -7.931255         0.014884
BFGS:   14 14:57:23       -7.931282         0.016729
BFGS:   15 14:57:23       -7.931304         0.020327
BFGS:   16 14:57:23       -7.931336         0.021908
BFGS:   17 14:57:23       -7.931383         0.018803
BFGS:   18 14:57:23       -7.931429         0.009801
BFGS:   19 14:57:23       -7.931450         0.008829
BFGS:   20 14:57:23       -7.931454         0.005178
BFGS:   21 14:57:23       -7.931455         0.002937
BFGS:   22 14:57:23       -7.931456         0.001893
BFGS:   23 14:57:23       -7.931457         0.000782
BFGS:   24 14:57:24       -7.931457         0.000331
BFGS:   25 14:57:24       -7.931457         0.000056
BFGS:   26 14:57:24       -7.931457         0.000003
BFGS:   27 14:57:24       -7.931457         0.000000
BFGS:   28 14:57:24       -7.931457         0.000000
BFGS:   29 14:57:24       -7.931457         0.000000
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.