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_001
==== 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 17:18:18       16.554898        31.656113
BFGS:    1 17:18:18       13.603029        27.178655
BFGS:    2 17:18:18       11.056264        23.362918
BFGS:    3 17:18:18        8.858388        20.116132
BFGS:    4 17:18:18        6.963200        17.263841
BFGS:    5 17:18:19        5.335783        14.780508
BFGS:    6 17:18:19        3.945042        12.597455
BFGS:    7 17:18:19        2.764576        10.669885
BFGS:    8 17:18:19        1.770592         8.980676
BFGS:    9 17:18:19        0.940669         7.474762
BFGS:   10 17:18:19        0.255502         6.160730
BFGS:   11 17:18:19       -0.306856         5.037796
BFGS:   12 17:18:19       -0.760240         4.044490
BFGS:   13 17:18:19       -1.121351         3.202809
BFGS:   14 17:18:19       -1.405661         2.498870
BFGS:   15 17:18:19       -1.627080         1.919856
BFGS:   16 17:18:19       -1.798023         1.452487
BFGS:   17 17:18:20       -1.929315         1.082199
BFGS:   18 17:18:20       -2.030054         0.793179
BFGS:   19 17:18:20       -2.107531         0.587633
BFGS:   20 17:18:20       -2.167270         0.593198
BFGS:   21 17:18:20       -2.213225         0.584188
BFGS:   22 17:18:20       -2.248096         0.561387
BFGS:   23 17:18:20       -2.273694         0.524200
BFGS:   24 17:18:20       -2.291302         0.469396
BFGS:   25 17:18:20       -2.302032         0.386711
BFGS:   26 17:18:20       -2.306724         0.319997
BFGS:   27 17:18:20       -2.311545         0.203119
BFGS:   28 17:18:20       -2.315046         0.089221
BFGS:   29 17:18:20       -2.316654         0.019259
BFGS:   30 17:18:21       -2.316929         0.011556
BFGS:   31 17:18:21       -2.316995         0.002536
BFGS:   32 17:18:21       -2.316996         0.000295
BFGS:   33 17:18:21       -2.316996         0.000001
BFGS:   34 17:18:21       -2.316996         0.000000
BFGS:   35 17:18:21       -2.316996         0.000000
Minimization converged after 35 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.1554304666808535e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.685022229311218, -7.727573046031907e-35, -1.36878898749687e-32], [-3.222771707938539e-35, 4.685022229311217, 7.722474683124226e-17], [-1.7619715973585043e-32, 1.0393364662123685e-16, 6.625621976698973]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.43050153e-13 -3.43050153e-13 -4.15543047e-13  8.43537046e-29
 -1.22537573e-34  2.48746605e-50]
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.