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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 09:46:02       16.554898        31.656113
BFGS:    1 09:46:02       13.603029        27.178655
BFGS:    2 09:46:02       11.056264        23.362918
BFGS:    3 09:46:03        8.858388        20.116132
BFGS:    4 09:46:03        6.963200        17.263841
BFGS:    5 09:46:03        5.335783        14.780508
BFGS:    6 09:46:03        3.945042        12.597455
BFGS:    7 09:46:05        2.764576        10.669885
BFGS:    8 09:46:05        1.770592         8.980676
BFGS:    9 09:46:05        0.940669         7.474762
BFGS:   10 09:46:06        0.255502         6.160730
BFGS:   11 09:46:06       -0.306856         5.037796
BFGS:   12 09:46:06       -0.760240         4.044490
BFGS:   13 09:46:06       -1.121351         3.202809
BFGS:   14 09:46:07       -1.405661         2.498870
BFGS:   15 09:46:07       -1.627080         1.919856
BFGS:   16 09:46:07       -1.798023         1.452487
BFGS:   17 09:46:08       -1.929315         1.082199
BFGS:   18 09:46:08       -2.030054         0.793179
BFGS:   19 09:46:09       -2.107531         0.587633
BFGS:   20 09:46:09       -2.167270         0.593198
BFGS:   21 09:46:10       -2.213225         0.584188
BFGS:   22 09:46:10       -2.248096         0.561387
BFGS:   23 09:46:11       -2.273694         0.524200
BFGS:   24 09:46:11       -2.291302         0.469396
BFGS:   25 09:46:12       -2.302032         0.386711
BFGS:   26 09:46:12       -2.306724         0.319997
BFGS:   27 09:46:13       -2.311545         0.203119
BFGS:   28 09:46:13       -2.315046         0.089221
BFGS:   29 09:46:14       -2.316654         0.019259
BFGS:   30 09:46:14       -2.316929         0.011556
BFGS:   31 09:46:15       -2.316995         0.002536
BFGS:   32 09:46:15       -2.316996         0.000295
BFGS:   33 09:46:16       -2.316996         0.000001
BFGS:   34 09:46:16       -2.316996         0.000000
BFGS:   35 09:46:16       -2.316996         0.000000
Minimization converged after 35 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.155236750328567e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.685022229311217, -1.155840547605911e-34, 8.389453744728703e-33], [-2.331272951561022e-34, 4.685022229311219, -7.649023494099912e-18], [6.386901133627173e-33, 4.0916044965844774e-17, 6.625621976698975]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.43015179e-13 -3.43015179e-13 -4.15523675e-13  1.09896827e-28
  7.69764585e-37 -1.41596482e-52]
energy per atom =  -1.15849797562314
===============================================
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.