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 16:56:56       -5.975453        6.8190
BFGS:    1 16:56:56       -6.459876        6.0628
BFGS:    2 16:56:56       -6.961654        4.5463
BFGS:    3 16:56:56       -7.484180        5.3492
BFGS:    4 16:56:56       -7.914008        6.2766
BFGS:    5 16:56:56       -8.326654        7.3169
BFGS:    6 16:56:56       -8.744800        9.7928
BFGS:    7 16:56:56       -9.159519       14.8742
BFGS:    8 16:56:56       -9.559674       21.1715
BFGS:    9 16:56:56       -9.938900       29.0724
BFGS:   10 16:56:56      -10.287020       38.9755
BFGS:   11 16:56:56      -10.599467       51.8350
BFGS:   12 16:56:56      -10.836113       64.3010
BFGS:   13 16:56:56      -11.061950       75.0544
BFGS:   14 16:56:56      -11.291354       86.5338
BFGS:   15 16:56:56      -11.517269       99.9224
BFGS:   16 16:56:56      -11.932506      113.4532
BFGS:   17 16:56:56      -12.284322      129.4432
BFGS:   18 16:56:56      -12.718294      146.2756
BFGS:   19 16:56:56      -13.246709      163.3482
BFGS:   20 16:56:56      -13.944383      178.7086
BFGS:   21 16:56:56      -15.034561      187.7454
BFGS:   22 16:56:56      -17.090438      180.4461
BFGS:   23 16:56:56      -22.454497      124.7429
BFGS:   24 16:56:56      -27.403875       66.8089
BFGS:   25 16:56:56      -30.075059       33.1865
BFGS:   26 16:56:56      -31.480367       19.1832
BFGS:   27 16:56:56      -32.114261       16.2640
BFGS:   28 16:56:56      -32.378661       13.5299
BFGS:   29 16:56:56      -32.492299       11.1446
BFGS:   30 16:56:56      -32.536862        9.2504
BFGS:   31 16:56:56      -32.555347        7.9239
BFGS:   32 16:56:56      -32.561326        7.1629
BFGS:   33 16:56:56      -32.563414        6.4786
BFGS:   34 16:56:56      -32.563637        6.3822
BFGS:   35 16:56:56      -32.564467        6.0544
BFGS:   36 16:56:56      -32.565466        5.9140
BFGS:   37 16:56:56      -32.568291        5.9325
BFGS:   38 16:56:56      -32.576113        5.9031
BFGS:   39 16:56:56      -32.594517        5.7242
BFGS:   40 16:56:56      -32.635781        5.1676
BFGS:   41 16:56:57      -32.709149        3.7830
BFGS:   42 16:56:57      -32.776996        2.4863
BFGS:   43 16:56:57      -32.799573        1.9461
BFGS:   44 16:56:57      -32.810303        0.2434
BFGS:   45 16:56:57      -32.810622        0.0259
BFGS:   46 16:56:57      -32.810623        0.0008
BFGS:   47 16:56:57      -32.810623        0.0000
BFGS:   48 16:56:57      -32.810623        0.0000
BFGS:   49 16:56:57      -32.810623        0.0000
Minimization converged after 49 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.57362898309969e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.300632999574603, 0.0, 0.0], [0.0, 2.3338999762070785, 1.787392976439984e-32], [0.0, -2.887243944788319e-32, 2.3338999762260713]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.25021698e-10 6.38438847e-11 2.57362898e-10 4.52570223e-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.