element(s):
['Br', 'Li']
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:
['5.5121']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Li']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.5121, 0, 0], [0, 5.5121, 0], [0, 0, 5.5121]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:15:38      -39.745030         7.610027
BFGS:    1 20:15:38      -40.897151         7.750085
BFGS:    2 20:15:38      -42.069554         7.880105
BFGS:    3 20:15:38      -43.260614         8.021428
BFGS:    4 20:15:38      -44.471839         8.125568
BFGS:    5 20:15:38      -45.697409         8.212200
BFGS:    6 20:15:38      -46.938154         8.314064
BFGS:    7 20:15:38      -48.188831         8.357249
BFGS:    8 20:15:38      -49.444489         8.376441
BFGS:    9 20:15:38      -50.700034         8.358209
BFGS:   10 20:15:39      -51.950028         8.301478
BFGS:   11 20:15:39      -53.188251         8.200195
BFGS:   12 20:15:39      -54.407517         8.047497
BFGS:   13 20:15:39      -55.599542         7.835609
BFGS:   14 20:15:39      -56.754802         7.555723
BFGS:   15 20:15:39      -57.862363         7.197859
BFGS:   16 20:15:39      -58.909698         6.750713
BFGS:   17 20:15:39      -59.882906         6.210208
BFGS:   18 20:15:39      -60.767798         5.583259
BFGS:   19 20:15:39      -61.549632         4.815358
BFGS:   20 20:15:40      -62.202964         3.868825
BFGS:   21 20:15:40      -62.701656         2.749735
BFGS:   22 20:15:40      -63.018066         1.434154
BFGS:   23 20:15:40      -63.120726         0.105065
BFGS:   24 20:15:40      -63.121224         0.007721
BFGS:   25 20:15:40      -63.121226         0.000038
BFGS:   26 20:15:40      -63.121226         0.000000
BFGS:   27 20:15:40      -63.121226         0.000000
Minimization converged after 27 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.463625995554195e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'Li', 'Li', 'Li', 'Li']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.61036560e-33 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 7.24521997e-50]
 [2.89808799e-48 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.95777420e-33 5.00000000e-01]]
cellpar =  Cell([[4.721925413070708, 3.3516381099974935e-32, 3.6957250282204246e-33], [3.191868267351754e-32, 4.721925413070707, 4.403206862272104e-17], [-9.41685334646549e-32, 4.4032068622721146e-17, 4.721925413070706]])
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 =  [ 2.46362600e-15  2.46362600e-15  2.46362600e-15 -1.16046124e-31
 -1.28990878e-33  5.21382604e-50]
energy per atom =  -7.890153293751718
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0