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 17:05:12       16.554898       31.6561
BFGS:    1 17:05:12       13.603029       27.1787
BFGS:    2 17:05:12       11.056264       23.3629
BFGS:    3 17:05:12        8.858388       20.1161
BFGS:    4 17:05:12        6.963200       17.2638
BFGS:    5 17:05:12        5.335783       14.7805
BFGS:    6 17:05:12        3.945042       12.5975
BFGS:    7 17:05:12        2.764576       10.6699
BFGS:    8 17:05:12        1.770592        8.9807
BFGS:    9 17:05:12        0.940669        7.4748
BFGS:   10 17:05:12        0.255502        6.1607
BFGS:   11 17:05:12       -0.306856        5.0378
BFGS:   12 17:05:12       -0.760240        4.0445
BFGS:   13 17:05:13       -1.121351        3.2028
BFGS:   14 17:05:13       -1.405661        2.4989
BFGS:   15 17:05:13       -1.627080        1.9199
BFGS:   16 17:05:13       -1.798023        1.4525
BFGS:   17 17:05:13       -1.929315        1.0822
BFGS:   18 17:05:13       -2.030054        0.7932
BFGS:   19 17:05:13       -2.107531        0.5876
BFGS:   20 17:05:13       -2.167270        0.5932
BFGS:   21 17:05:13       -2.213225        0.5842
BFGS:   22 17:05:13       -2.248096        0.5614
BFGS:   23 17:05:13       -2.273694        0.5242
BFGS:   24 17:05:13       -2.291302        0.4694
BFGS:   25 17:05:13       -2.302032        0.3867
BFGS:   26 17:05:13       -2.306724        0.3200
BFGS:   27 17:05:13       -2.311545        0.2031
BFGS:   28 17:05:14       -2.315046        0.0892
BFGS:   29 17:05:14       -2.316654        0.0193
BFGS:   30 17:05:14       -2.316929        0.0116
BFGS:   31 17:05:14       -2.316995        0.0025
BFGS:   32 17:05:14       -2.316996        0.0003
BFGS:   33 17:05:14       -2.316996        0.0000
BFGS:   34 17:05:14       -2.316996        0.0000
BFGS:   35 17:05:14       -2.316996        0.0000
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.