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 14:39:12      -66.865119       14.4818
BFGS:    1 14:39:12      -69.071550       15.0273
BFGS:    2 14:39:13      -71.359743       15.4828
BFGS:    3 14:39:13      -73.716596       15.9426
BFGS:    4 14:39:13      -76.143378       16.4160
BFGS:    5 14:39:13      -78.640586       16.8802
BFGS:    6 14:39:13      -81.207370       17.3432
BFGS:    7 14:39:13      -83.843380       17.8027
BFGS:    8 14:39:13      -86.547859       18.2556
BFGS:    9 14:39:13      -89.319572       18.6986
BFGS:   10 14:39:13      -92.156733       19.1276
BFGS:   11 14:39:13      -95.056912       19.5380
BFGS:   12 14:39:13      -98.016939       19.9246
BFGS:   13 14:39:13     -101.032788       20.2812
BFGS:   14 14:39:13     -104.099447       20.6008
BFGS:   15 14:39:13     -107.214179       20.9045
BFGS:   16 14:39:13     -110.376032       21.1969
BFGS:   17 14:39:13     -113.580249       21.4492
BFGS:   18 14:39:13     -116.805241       21.5368
BFGS:   19 14:39:13     -120.036768       21.5338
BFGS:   20 14:39:13     -123.260045       21.4240
BFGS:   21 14:39:13     -126.457722       21.1892
BFGS:   22 14:39:13     -129.609504       20.8084
BFGS:   23 14:39:13     -132.691737       20.2576
BFGS:   24 14:39:13     -135.676919       19.5095
BFGS:   25 14:39:13     -138.533832       18.5420
BFGS:   26 14:39:13     -141.225624       17.3012
BFGS:   27 14:39:13     -143.708942       15.7550
BFGS:   28 14:39:13     -145.939513       13.9544
BFGS:   29 14:39:13     -147.865691       11.6555
BFGS:   30 14:39:13     -149.416677        8.9541
BFGS:   31 14:39:13     -150.519563        5.6553
BFGS:   32 14:39:13     -151.082434        1.7396
BFGS:   33 14:39:13     -151.135456        0.1629
BFGS:   34 14:39:13     -151.135890        0.0106
BFGS:   35 14:39:13     -151.135892        0.0000
BFGS:   36 14:39:13     -151.135892        0.0000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.818090402094468e-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 1.66350706e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.95498215e-49 0.00000000e+00]
 [2.95498215e-49 5.00000000e-01 0.00000000e+00]
 [1.18199286e-48 4.99052119e-34 5.00000000e-01]]
cellpar =  Cell([[4.631011158024233, 2.2341554077781617e-32, 7.398998872238878e-33], [2.3980186281458066e-32, 4.631011158024233, 8.711032549826194e-18], [-8.763781263804887e-33, 8.7110325498262e-18, 4.631011158024234]])
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 =  [-3.81809040e-10 -3.81809040e-10 -3.81809040e-10  1.00497224e-26
  1.53263076e-33 -2.64537329e-50]
energy per atom =  -18.891986529612915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0