element(s):
['S', 'Se']
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:
['5.421']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['S', 'Se']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.421, 0, 0], [0, 5.421, 0], [0, 0, 5.421]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:14:51      -71.492828        15.624844
BFGS:    1 11:14:51      -73.877519        16.160882
BFGS:    2 11:14:51      -76.339424        16.665755
BFGS:    3 11:14:51      -78.890983        17.295650
BFGS:    4 11:14:52      -81.525178        17.844570
BFGS:    5 11:14:52      -84.241402        18.372267
BFGS:    6 11:14:52      -87.036962        18.902029
BFGS:    7 11:14:52      -89.911997        19.431506
BFGS:    8 11:14:52      -92.866262        19.957939
BFGS:    9 11:14:52      -95.899065        20.478096
BFGS:   10 11:14:52      -99.009190        20.988208
BFGS:   11 11:14:52     -102.194808        21.483893
BFGS:   12 11:14:52     -105.453383        21.960065
BFGS:   13 11:14:52     -108.781559        22.410840
BFGS:   14 11:14:52     -112.175027        22.829423
BFGS:   15 11:14:52     -115.630027        23.223020
BFGS:   16 11:14:52     -119.138923        23.553264
BFGS:   17 11:14:52     -122.693040        23.824117
BFGS:   18 11:14:52     -126.293497        24.128262
BFGS:   19 11:14:52     -129.922877        24.248101
BFGS:   20 11:14:52     -133.562912        24.267548
BFGS:   21 11:14:52     -137.203438        24.229323
BFGS:   22 11:14:52     -140.822105        23.994577
BFGS:   23 11:14:52     -144.393698        23.597453
BFGS:   24 11:14:52     -147.891878        23.010942
BFGS:   25 11:14:52     -151.285972        22.204123
BFGS:   26 11:14:52     -154.553775        21.240339
BFGS:   27 11:14:52     -157.642292        19.886898
BFGS:   28 11:14:52     -160.502741        18.191172
BFGS:   29 11:14:52     -163.084390        16.211517
BFGS:   30 11:14:52     -165.331646        13.670414
BFGS:   31 11:14:52     -167.159263        10.603942
BFGS:   32 11:14:53     -168.482593         6.932383
BFGS:   33 11:14:53     -169.205881         2.586412
BFGS:   34 11:14:53     -169.306323         0.385328
BFGS:   35 11:14:53     -169.308450         0.016838
BFGS:   36 11:14:53     -169.308454         0.000103
BFGS:   37 11:14:53     -169.308454         0.000000
BFGS:   38 11:14:53     -169.308454         0.000000
Minimization converged after 38 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.442505616899199e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Se', 'Se', 'Se', 'Se']
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 3.59545084e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.59670092e-49]
 [0.00000000e+00 5.00000000e-01 7.19090169e-34]
 [3.19340185e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.285259408944937, 1.8105764186184217e-32, 4.224486218968634e-33], [-2.404119750491095e-32, 4.285259408944937, 2.687416600792789e-17], [-3.710917704481075e-33, 2.6874166007927913e-17, 4.285259408944937]])
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 =  [5.44250562e-15 5.44250562e-15 5.44250562e-15 1.18061412e-31
 2.23740689e-34 6.73071072e-51]
energy per atom =  -21.163556788834512
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0