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:
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 =  225
cell =  [[4.7191, 0, 0], [0, 4.7191, 0], [0, 0, 4.7191]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:48:44       27.999944       23.4373
BFGS:    1 16:48:44       24.647697       21.2986
BFGS:    2 16:48:44       21.599346       19.3804
BFGS:    3 16:48:44       18.821365       17.6741
BFGS:    4 16:48:45       16.290306       16.0993
BFGS:    5 16:48:45       13.984493       14.6665
BFGS:    6 16:48:45       11.884436       13.3524
BFGS:    7 16:48:45        9.973794       12.1382
BFGS:    8 16:48:45        8.238666       11.0102
BFGS:    9 16:48:45        6.666910        9.9587
BFGS:   10 16:48:45        5.247559        8.9774
BFGS:   11 16:48:45        3.970355        8.0629
BFGS:   12 16:48:45        2.825434        7.2134
BFGS:   13 16:48:45        1.803128        6.4279
BFGS:   14 16:48:45        0.893900        5.7056
BFGS:   15 16:48:45        0.088356        5.0449
BFGS:   16 16:48:46       -0.628855        4.4781
BFGS:   17 16:48:46       -1.257945        3.9203
BFGS:   18 16:48:46       -1.807941        3.4225
BFGS:   19 16:48:46       -2.287427        2.9792
BFGS:   20 16:48:46       -2.704132        2.5845
BFGS:   21 16:48:46       -3.064953        2.2332
BFGS:   22 16:48:46       -3.375982        1.9198
BFGS:   23 16:48:46       -3.642560        1.6397
BFGS:   24 16:48:46       -3.869328        1.3883
BFGS:   25 16:48:46       -4.060299        1.1618
BFGS:   26 16:48:46       -4.218929        0.9566
BFGS:   27 16:48:46       -4.348193        0.7698
BFGS:   28 16:48:46       -4.450658        0.5989
BFGS:   29 16:48:47       -4.528549        0.4418
BFGS:   30 16:48:47       -4.583807        0.2969
BFGS:   31 16:48:47       -4.618145        0.1627
BFGS:   32 16:48:47       -4.633082        0.0380
BFGS:   33 16:48:47       -4.633990        0.0018
BFGS:   34 16:48:47       -4.633992        0.0000
BFGS:   35 16:48:47       -4.633992        0.0000
BFGS:   36 16:48:47       -4.633992        0.0000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2291048080809492e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.06539935e-48 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([[6.625621976716747, 5.013666052052127e-32, 1.3646921217977322e-32], [4.829948358179661e-32, 6.625621976716747, -2.2816697099725117e-17], [-1.839009441978917e-32, -2.2816697099725084e-17, 6.625621976716748]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.22910481e-15 -1.22910481e-15 -1.22910481e-15 -1.92806702e-33
  8.55785934e-40  1.56947251e-57]
energy per atom =  -1.1584979756231402
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0