element(s):
['S', 'Te']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8073']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['S', 'Te']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.8073, 0, 0], [0, 5.8073, 0], [0, 0, 5.8073]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:14:52      -66.865119        14.481768
BFGS:    1 11:14:52      -69.071550        15.027326
BFGS:    2 11:14:52      -71.359743        15.482751
BFGS:    3 11:14:52      -73.716596        15.942572
BFGS:    4 11:14:52      -76.143378        16.415965
BFGS:    5 11:14:52      -78.640586        16.880156
BFGS:    6 11:14:52      -81.207370        17.343248
BFGS:    7 11:14:52      -83.843380        17.802720
BFGS:    8 11:14:52      -86.547859        18.255634
BFGS:    9 11:14:52      -89.319572        18.698568
BFGS:   10 11:14:52      -92.156733        19.127551
BFGS:   11 11:14:52      -95.056912        19.537990
BFGS:   12 11:14:52      -98.016939        19.924576
BFGS:   13 11:14:52     -101.032788        20.281191
BFGS:   14 11:14:52     -104.099447        20.600791
BFGS:   15 11:14:52     -107.214179        20.904453
BFGS:   16 11:14:52     -110.376032        21.196914
BFGS:   17 11:14:52     -113.580249        21.449151
BFGS:   18 11:14:53     -116.805241        21.536840
BFGS:   19 11:14:53     -120.036768        21.533791
BFGS:   20 11:14:53     -123.260045        21.424007
BFGS:   21 11:14:53     -126.457722        21.189178
BFGS:   22 11:14:53     -129.609504        20.808357
BFGS:   23 11:14:53     -132.691737        20.257586
BFGS:   24 11:14:53     -135.676919        19.509469
BFGS:   25 11:14:53     -138.533832        18.542014
BFGS:   26 11:14:53     -141.225624        17.301236
BFGS:   27 11:14:53     -143.708942        15.755048
BFGS:   28 11:14:53     -145.939513        13.954409
BFGS:   29 11:14:53     -147.865691        11.655533
BFGS:   30 11:14:53     -149.416677         8.954099
BFGS:   31 11:14:53     -150.519563         5.655259
BFGS:   32 11:14:53     -151.082434         1.739627
BFGS:   33 11:14:53     -151.135456         0.162927
BFGS:   34 11:14:53     -151.135890         0.010575
BFGS:   35 11:14:53     -151.135892         0.000031
BFGS:   36 11:14:53     -151.135892         0.000000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.818079191799503e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Te', 'Te', 'Te', 'Te']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [2.21623661e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.631011158024233, 5.305828759682401e-33, 3.150218206083146e-34], [5.1018858967359447e-33, 4.631011158024233, 2.4008455350623847e-19], [-3.1857283922182715e-34, 2.4008455350623765e-19, 4.631011158024233]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.81807919e-10 -3.81807919e-10 -3.81807919e-10 -4.57140007e-29
 -2.54148466e-59  2.45988534e-58]
energy per atom =  -18.891986529612918
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0