element(s):
['Li', 'S']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7213']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Li', 'S']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.7213, 0, 0], [0, 5.7213, 0], [0, 0, 5.7213]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:50     -101.185508       10.5166
BFGS:    1 14:46:50     -102.760663       10.4822
BFGS:    2 14:46:50     -104.329129       10.4271
BFGS:    3 14:46:50     -105.887668       10.3495
BFGS:    4 14:46:50     -107.432733       10.2471
BFGS:    5 14:46:50     -108.965571       10.1869
BFGS:    6 14:46:50     -110.482224       10.0300
BFGS:    7 14:46:50     -111.972972        9.8410
BFGS:    8 14:46:50     -113.432775        9.6169
BFGS:    9 14:46:50     -114.856136        9.3546
BFGS:   10 14:46:50     -116.239056        9.0680
BFGS:   11 14:46:51     -117.573688        8.7192
BFGS:   12 14:46:51     -118.852346        8.3210
BFGS:   13 14:46:51     -120.067308        7.8692
BFGS:   14 14:46:51     -121.210176        7.3590
BFGS:   15 14:46:51     -122.271823        6.7853
BFGS:   16 14:46:51     -123.242330        6.1428
BFGS:   17 14:46:51     -124.110924        5.4255
BFGS:   18 14:46:51     -124.865904        4.6269
BFGS:   19 14:46:51     -125.497318        3.7591
BFGS:   20 14:46:51     -125.989639        2.7833
BFGS:   21 14:46:51     -126.327074        1.6978
BFGS:   22 14:46:51     -126.493350        0.4997
BFGS:   23 14:46:51     -126.507980        0.0355
BFGS:   24 14:46:51     -126.508052        0.0007
BFGS:   25 14:46:51     -126.508052        0.0000
BFGS:   26 14:46:51     -126.508052        0.0000
Minimization converged after 26 steps.
Maximum force component: 1.2852248143724135e-29 eV/Angstrom
Maximum stress component: 1.7043735112052636e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'Li', 'S', 'S', 'S', 'S']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 1.00000000e+00 1.00000000e+00]
 [1.58277563e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]]
cellpar =  Cell([[5.187553456294224, -2.991511343192493e-32, 2.05703921328534e-33], [-2.8602016095058716e-32, 5.187553456294224, 1.9262423401173734e-17], [5.127559651107364e-33, 1.9262423401173743e-17, 5.187553456294224]])
forces =  [[ 3.41021510e-31 -6.64991944e-30  1.03585284e-29]
 [ 2.09941367e-30  1.07848052e-29  1.01880176e-29]
 [-4.09225812e-30 -5.79736566e-30 -6.47940868e-30]
 [ 3.41021510e-31  8.61079312e-30 -1.10831991e-29]
 [ 2.64291670e-30 -6.47940868e-30 -8.86655925e-30]
 [-1.15094759e-30  9.33546383e-30 -9.20758076e-30]
 [ 4.26276887e-31  1.07848052e-29  1.25964820e-29]
 [ 2.40846441e-30 -8.35502699e-30  1.28522481e-29]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.70437351e-12 -1.70437351e-12 -1.70437351e-12 -1.29011207e-29
 -8.01154676e-61  1.41427465e-60]
energy per atom =  -10.542337672529014
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0