element(s):
['Br']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8668', '2.5559509']
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 =  139
cell =  [[2.8668, 0, 0], [0, 2.8668, 0], [0, 0, 7.3274]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:05:24       -6.710582        7.3525
BFGS:    1 17:05:24       -7.553311        8.1725
BFGS:    2 17:05:24       -8.482399        8.9304
BFGS:    3 17:05:24       -9.493924        9.5925
BFGS:    4 17:05:24      -10.570951        9.8308
BFGS:    5 17:05:24      -11.679264        9.3786
BFGS:    6 17:05:24      -12.767841        7.6574
BFGS:    7 17:05:24      -13.644325        7.5527
BFGS:    8 17:05:24      -14.217736        8.8504
BFGS:    9 17:05:24      -14.711917       10.2807
BFGS:   10 17:05:24      -15.201851       11.9190
BFGS:   11 17:05:24      -15.687573       13.8517
BFGS:   12 17:05:24      -16.405447       15.7657
BFGS:   13 17:05:24      -17.322083       17.7958
BFGS:   14 17:05:24      -18.290793       19.3134
BFGS:   15 17:05:24      -19.342868       22.0105
BFGS:   16 17:05:24      -20.531986       24.8346
BFGS:   17 17:05:24      -21.867348       27.7303
BFGS:   18 17:05:24      -23.347126       30.5939
BFGS:   19 17:05:24      -24.963204       33.0727
BFGS:   20 17:05:24      -26.682187       34.6407
BFGS:   21 17:05:24      -28.441579       34.6783
BFGS:   22 17:05:24      -30.131490       31.7405
BFGS:   23 17:05:24      -31.547264       23.8217
BFGS:   24 17:05:24      -32.357320        8.1769
BFGS:   25 17:05:24      -32.556209        6.6572
BFGS:   26 17:05:24      -32.662676        6.1116
BFGS:   27 17:05:24      -32.725144        5.1495
BFGS:   28 17:05:24      -32.803820        2.1045
BFGS:   29 17:05:24      -32.810395        0.4605
BFGS:   30 17:05:24      -32.810610        0.0773
BFGS:   31 17:05:24      -32.810622        0.0079
BFGS:   32 17:05:24      -32.810623        0.0014
BFGS:   33 17:05:24      -32.810623        0.0002
BFGS:   34 17:05:24      -32.810623        0.0000
BFGS:   35 17:05:24      -32.810623        0.0000
BFGS:   36 17:05:24      -32.810623        0.0000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8773563513750618e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.3338999762008177, 6.58891632705202e-34, -2.735802593342726e-31], [-1.2388864726168032e-33, 2.3338999762008177, 2.3567584405744702e-16], [-3.0587500052752486e-31, 6.324745003961586e-16, 3.3006329995833754]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.87735635e-11 -2.87735635e-11  1.98609248e-11  4.00014139e-27
 -6.34758076e-42 -1.69599509e-57]
energy per atom =  -16.405311579334473
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_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.