element(s):
['Br']
AFLOW prototype label:
A_oI2_71_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.1935', '0.49988184', '0.35811496']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br']
representative atom coordinates =  [[0 0 0]]
spacegroup =  71
cell =  [[7.1935, 0, 0], [0, 2.5761, 0], [0, 0, 3.5959]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:33       -5.975453         6.819027
BFGS:    1 17:10:33       -6.459876         6.062756
BFGS:    2 17:10:33       -6.961654         4.546340
BFGS:    3 17:10:33       -7.484180         5.349205
BFGS:    4 17:10:33       -7.914008         6.276571
BFGS:    5 17:10:33       -8.326654         7.316865
BFGS:    6 17:10:33       -8.744800         9.792827
BFGS:    7 17:10:33       -9.159519        14.874202
BFGS:    8 17:10:33       -9.559674        21.171533
BFGS:    9 17:10:33       -9.938900        29.072375
BFGS:   10 17:10:33      -10.287020        38.975456
BFGS:   11 17:10:33      -10.599467        51.834966
BFGS:   12 17:10:33      -10.836113        64.301034
BFGS:   13 17:10:33      -11.061950        75.054444
BFGS:   14 17:10:33      -11.291354        86.533769
BFGS:   15 17:10:33      -11.517269        99.922355
BFGS:   16 17:10:33      -11.932506       113.453165
BFGS:   17 17:10:33      -12.284322       129.443186
BFGS:   18 17:10:33      -12.718294       146.275622
BFGS:   19 17:10:33      -13.246709       163.348197
BFGS:   20 17:10:33      -13.944383       178.708606
BFGS:   21 17:10:34      -15.034561       187.745374
BFGS:   22 17:10:34      -17.090438       180.446144
BFGS:   23 17:10:34      -22.454497       124.742892
BFGS:   24 17:10:35      -27.403875        66.808855
BFGS:   25 17:10:35      -30.075059        33.186460
BFGS:   26 17:10:35      -31.480367        19.183248
BFGS:   27 17:10:35      -32.114261        16.263957
BFGS:   28 17:10:36      -32.378661        13.529920
BFGS:   29 17:10:36      -32.492299        11.144582
BFGS:   30 17:10:36      -32.536862         9.250362
BFGS:   31 17:10:36      -32.555347         7.923918
BFGS:   32 17:10:37      -32.561326         7.162944
BFGS:   33 17:10:37      -32.563414         6.478615
BFGS:   34 17:10:37      -32.563637         6.382213
BFGS:   35 17:10:37      -32.564467         6.054367
BFGS:   36 17:10:38      -32.565466         5.914039
BFGS:   37 17:10:38      -32.568291         5.932515
BFGS:   38 17:10:38      -32.576113         5.903100
BFGS:   39 17:10:39      -32.594517         5.724164
BFGS:   40 17:10:39      -32.635781         5.167598
BFGS:   41 17:10:39      -32.709149         3.782964
BFGS:   42 17:10:40      -32.776996         2.486346
BFGS:   43 17:10:41      -32.799573         1.946108
BFGS:   44 17:10:41      -32.810303         0.243432
BFGS:   45 17:10:42      -32.810622         0.025929
BFGS:   46 17:10:42      -32.810623         0.000752
BFGS:   47 17:10:43      -32.810623         0.000019
BFGS:   48 17:10:43      -32.810623         0.000000
BFGS:   49 17:10:44      -32.810623         0.000000
Minimization converged after 49 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.57367103639032e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.3006329995746024, 0.0, 0.0], [0.0, 2.3338999762070785, 1.8197008628368222e-32], [0.0, -2.595111187841536e-32, 2.3338999762260717]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.25022058e-10  6.38433197e-11  2.57367104e-10 -9.05140446e-33
  0.00000000e+00  0.00000000e+00]
energy per atom =  -16.40531157933446
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI2_71_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.