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 15:25:37      -39.745030         7.610027
BFGS:    1 15:25:37      -40.897151         7.750085
BFGS:    2 15:25:38      -42.069554         7.880105
BFGS:    3 15:25:38      -43.260614         8.021428
BFGS:    4 15:25:38      -44.471839         8.125568
BFGS:    5 15:25:38      -45.697409         8.212200
BFGS:    6 15:25:38      -46.938154         8.314064
BFGS:    7 15:25:38      -48.188831         8.357249
BFGS:    8 15:25:38      -49.444489         8.376441
BFGS:    9 15:25:38      -50.700034         8.358209
BFGS:   10 15:25:38      -51.950028         8.301478
BFGS:   11 15:25:38      -53.188251         8.200195
BFGS:   12 15:25:38      -54.407517         8.047497
BFGS:   13 15:25:38      -55.599542         7.835609
BFGS:   14 15:25:38      -56.754802         7.555723
BFGS:   15 15:25:38      -57.862363         7.197859
BFGS:   16 15:25:38      -58.909698         6.750713
BFGS:   17 15:25:38      -59.882906         6.210208
BFGS:   18 15:25:39      -60.767798         5.583259
BFGS:   19 15:25:39      -61.549632         4.815358
BFGS:   20 15:25:39      -62.202964         3.868825
BFGS:   21 15:25:39      -62.701656         2.749735
BFGS:   22 15:25:39      -63.018066         1.434154
BFGS:   23 15:25:39      -63.120726         0.105065
BFGS:   24 15:25:39      -63.121224         0.007721
BFGS:   25 15:25:39      -63.121226         0.000038
BFGS:   26 15:25:39      -63.121226         0.000000
BFGS:   27 15:25:39      -63.121226         0.000000
Minimization converged after 27 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.277821076935598e-16 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]
 [1.44904399e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.63147850e-34 5.00000000e-01]]
cellpar =  Cell([[4.721925413070706, -6.650799281108361e-33, 1.855993885684606e-34], [-9.543273396636527e-33, 4.721925413070707, 7.114937195020239e-18], [-5.969575867685667e-33, 7.11493719502024e-18, 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 =  [ 8.27782108e-16  8.27782108e-16  8.27782108e-16 -9.02305502e-32
  1.56631781e-33 -9.97095416e-50]
energy per atom =  -7.890153293751717
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0