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 16:48:56      -14.089058        6.7519
BFGS:    1 16:48:56      -15.142046        7.2950
BFGS:    2 16:48:56      -16.279735        7.8817
BFGS:    3 16:48:56      -17.516160        8.6143
BFGS:    4 16:48:56      -18.859482        9.3051
BFGS:    5 16:48:56      -20.310247       10.0471
BFGS:    6 16:48:56      -21.876241       10.8416
BFGS:    7 16:48:56      -23.565364       11.6888
BFGS:    8 16:48:56      -25.386411       12.6007
BFGS:    9 16:48:56      -27.347052       13.5488
BFGS:   10 16:48:56      -29.453167       14.5390
BFGS:   11 16:48:56      -31.710377       15.5613
BFGS:   12 16:48:56      -34.126708       16.6842
BFGS:   13 16:48:56      -36.707706       17.7259
BFGS:   14 16:48:56      -39.442611       18.7298
BFGS:   15 16:48:56      -42.322493       19.6499
BFGS:   16 16:48:56      -45.337758       20.4846
BFGS:   17 16:48:57      -48.454819       21.0281
BFGS:   18 16:48:57      -51.628437       21.2153
BFGS:   19 16:48:57      -54.801178       20.9470
BFGS:   20 16:48:57      -57.873857       19.8754
BFGS:   21 16:48:57      -60.713307       17.8181
BFGS:   22 16:48:57      -63.139198       14.2418
BFGS:   23 16:48:57      -64.884992        8.6417
BFGS:   24 16:48:57      -65.619601        0.4714
BFGS:   25 16:48:57      -65.621148        0.1161
BFGS:   26 16:48:57      -65.621246        0.0010
BFGS:   27 16:48:57      -65.621246        0.0000
BFGS:   28 16:48:57      -65.621246        0.0000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0901012432887535e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.07301983e-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]]
cellpar =  Cell([[3.3006329995721195, -9.275910218884623e-33, -5.264312624941842e-34], [-7.607793776531776e-33, 3.3006329995721195, 5.159718006267493e-18], [3.276864278400628e-33, 5.159718006267487e-18, 3.3006329995721186]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.09010124e-12 -3.09010124e-12 -3.09010124e-12 -3.03597440e-28
 -1.90225241e-60 -1.07425682e-60]
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