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 14:39:13      -71.492828       15.6248
BFGS:    1 14:39:13      -73.877519       16.1609
BFGS:    2 14:39:13      -76.339424       16.6658
BFGS:    3 14:39:13      -78.890983       17.2956
BFGS:    4 14:39:13      -81.525178       17.8446
BFGS:    5 14:39:13      -84.241402       18.3723
BFGS:    6 14:39:13      -87.036962       18.9020
BFGS:    7 14:39:13      -89.911997       19.4315
BFGS:    8 14:39:13      -92.866262       19.9579
BFGS:    9 14:39:13      -95.899065       20.4781
BFGS:   10 14:39:13      -99.009190       20.9882
BFGS:   11 14:39:13     -102.194808       21.4839
BFGS:   12 14:39:13     -105.453383       21.9601
BFGS:   13 14:39:13     -108.781559       22.4108
BFGS:   14 14:39:13     -112.175027       22.8294
BFGS:   15 14:39:13     -115.630027       23.2230
BFGS:   16 14:39:13     -119.138923       23.5533
BFGS:   17 14:39:13     -122.693040       23.8241
BFGS:   18 14:39:13     -126.293497       24.1283
BFGS:   19 14:39:13     -129.922877       24.2481
BFGS:   20 14:39:13     -133.562912       24.2675
BFGS:   21 14:39:13     -137.203438       24.2293
BFGS:   22 14:39:13     -140.822105       23.9946
BFGS:   23 14:39:13     -144.393698       23.5975
BFGS:   24 14:39:13     -147.891878       23.0109
BFGS:   25 14:39:13     -151.285972       22.2041
BFGS:   26 14:39:13     -154.553775       21.2403
BFGS:   27 14:39:13     -157.642292       19.8869
BFGS:   28 14:39:13     -160.502741       18.1912
BFGS:   29 14:39:14     -163.084390       16.2115
BFGS:   30 14:39:14     -165.331646       13.6704
BFGS:   31 14:39:14     -167.159263       10.6039
BFGS:   32 14:39:14     -168.482593        6.9324
BFGS:   33 14:39:14     -169.205881        2.5864
BFGS:   34 14:39:14     -169.306323        0.3853
BFGS:   35 14:39:14     -169.308450        0.0168
BFGS:   36 14:39:14     -169.308454        0.0001
BFGS:   37 14:39:14     -169.308454        0.0000
BFGS:   38 14:39:14     -169.308454        0.0000
Minimization converged after 38 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.275661365354267e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['S', 'S', 'S', 'S', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 6.3868037e-49]
 [0.0000000e+00 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]]
cellpar =  Cell([[4.285259408944938, -5.429975773733614e-32, 1.9245057542340035e-32], [-1.8181549740653424e-32, 4.2852594089449365, -1.678226742041548e-17], [9.22290351877764e-32, -1.678226742041555e-17, 4.2852594089449365]])
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 =  [ 2.27566137e-15  2.27566137e-15  2.27566137e-15 -5.86283387e-31
 -5.59351722e-34  4.76229996e-50]
energy per atom =  -21.163556788834494
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0