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 14:20:51      -39.745030        7.6100
BFGS:    1 14:20:51      -40.897151        7.7501
BFGS:    2 14:20:51      -42.069554        7.8801
BFGS:    3 14:20:51      -43.260614        8.0214
BFGS:    4 14:20:51      -44.471839        8.1256
BFGS:    5 14:20:51      -45.697409        8.2122
BFGS:    6 14:20:52      -46.938154        8.3141
BFGS:    7 14:20:52      -48.188831        8.3572
BFGS:    8 14:20:52      -49.444489        8.3764
BFGS:    9 14:20:52      -50.700034        8.3582
BFGS:   10 14:20:52      -51.950028        8.3015
BFGS:   11 14:20:52      -53.188251        8.2002
BFGS:   12 14:20:52      -54.407517        8.0475
BFGS:   13 14:20:52      -55.599542        7.8356
BFGS:   14 14:20:52      -56.754802        7.5557
BFGS:   15 14:20:52      -57.862363        7.1979
BFGS:   16 14:20:52      -58.909698        6.7507
BFGS:   17 14:20:52      -59.882906        6.2102
BFGS:   18 14:20:52      -60.767798        5.5833
BFGS:   19 14:20:52      -61.549632        4.8154
BFGS:   20 14:20:52      -62.202964        3.8688
BFGS:   21 14:20:52      -62.701656        2.7497
BFGS:   22 14:20:52      -63.018066        1.4342
BFGS:   23 14:20:52      -63.120726        0.1051
BFGS:   24 14:20:52      -63.121224        0.0077
BFGS:   25 14:20:52      -63.121226        0.0000
BFGS:   26 14:20:52      -63.121226        0.0000
BFGS:   27 14:20:52      -63.121226        0.0000
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