element(s):
['Br']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7191']
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 =  225
cell =  [[4.7191, 0, 0], [0, 4.7191, 0], [0, 0, 4.7191]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:53      -14.089058         6.751929
BFGS:    1 15:12:53      -15.142046         7.294977
BFGS:    2 15:12:53      -16.279735         7.881690
BFGS:    3 15:12:53      -17.516160         8.614276
BFGS:    4 15:12:53      -18.859482         9.305082
BFGS:    5 15:12:53      -20.310247        10.047116
BFGS:    6 15:12:53      -21.876241        10.841604
BFGS:    7 15:12:54      -23.565364        11.688762
BFGS:    8 15:12:54      -25.386411        12.600712
BFGS:    9 15:12:54      -27.347052        13.548810
BFGS:   10 15:12:54      -29.453167        14.539043
BFGS:   11 15:12:54      -31.710377        15.561321
BFGS:   12 15:12:54      -34.126708        16.684155
BFGS:   13 15:12:54      -36.707706        17.725910
BFGS:   14 15:12:54      -39.442611        18.729828
BFGS:   15 15:12:54      -42.322493        19.649935
BFGS:   16 15:12:54      -45.337758        20.484624
BFGS:   17 15:12:54      -48.454819        21.028053
BFGS:   18 15:12:54      -51.628437        21.215304
BFGS:   19 15:12:54      -54.801178        20.946981
BFGS:   20 15:12:54      -57.873857        19.875395
BFGS:   21 15:12:54      -60.713307        17.818110
BFGS:   22 15:12:54      -63.139198        14.241821
BFGS:   23 15:12:54      -64.884992         8.641664
BFGS:   24 15:12:54      -65.619601         0.471444
BFGS:   25 15:12:54      -65.621148         0.116107
BFGS:   26 15:12:54      -65.621246         0.001012
BFGS:   27 15:12:54      -65.621246         0.000002
BFGS:   28 15:12:54      -65.621246         0.000000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0880032352571273e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.91751604e-35]]
cellpar =  Cell([[3.3006329995721195, 8.83939461475618e-33, -1.5088056994327527e-33], [5.292858487226783e-34, 3.3006329995721195, 1.3342756200696862e-18], [1.4857841154263378e-33, 1.3342756200696824e-18, 3.300632999572119]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.08800324e-12 -3.08800324e-12 -3.08800324e-12 -1.23762255e-30
 -1.88570926e-34 -3.72349444e-53]
energy per atom =  -16.40531157933443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0