element(s):
['Br']
AFLOW prototype label:
A_oI2_71_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.1935', '0.49988184', '0.35811496']
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 =  71
cell =  [[7.1935, 0, 0], [0, 2.5761, 0], [0, 0, 3.5959]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:56:41       16.352907       48.3231
BFGS:    1 16:56:41       13.989936       42.2657
BFGS:    2 16:56:41       11.820203       36.9212
BFGS:    3 16:56:41        9.891230       32.2492
BFGS:    4 16:56:42        8.197759       28.1913
BFGS:    5 16:56:42        6.716523       24.6934
BFGS:    6 16:56:42        5.420153       21.6359
BFGS:    7 16:56:42        4.291954       18.9743
BFGS:    8 16:56:42        3.309234       16.6343
BFGS:    9 16:56:42        2.454003       14.5564
BFGS:   10 16:56:42        1.711559       12.6978
BFGS:   11 16:56:42        1.069430       11.0299
BFGS:   12 16:56:42        0.516618        9.5340
BFGS:   13 16:56:42        0.043114        8.1970
BFGS:   14 16:56:42       -0.360650        7.0146
BFGS:   15 16:56:42       -0.702806        5.9594
BFGS:   16 16:56:42       -0.992223        5.0528
BFGS:   17 16:56:42       -1.235033        4.2368
BFGS:   18 16:56:42       -1.437607        3.5311
BFGS:   19 16:56:43       -1.605976        2.9237
BFGS:   20 16:56:43       -1.745408        2.4033
BFGS:   21 16:56:43       -1.860481        1.9596
BFGS:   22 16:56:43       -1.955152        1.5832
BFGS:   23 16:56:43       -2.032810        1.2654
BFGS:   24 16:56:43       -2.096324        0.9982
BFGS:   25 16:56:43       -2.148092        0.7742
BFGS:   26 16:56:43       -2.190085        0.5868
BFGS:   27 16:56:43       -2.223899        0.4300
BFGS:   28 16:56:43       -2.250801        0.3982
BFGS:   29 16:56:43       -2.271788        0.3795
BFGS:   30 16:56:43       -2.287635        0.3535
BFGS:   31 16:56:43       -2.298952        0.3188
BFGS:   32 16:56:43       -2.306233        0.2725
BFGS:   33 16:56:43       -2.310173        0.2281
BFGS:   34 16:56:44       -2.311690        0.1830
BFGS:   35 16:56:44       -2.313424        0.1171
BFGS:   36 16:56:44       -2.315162        0.0652
BFGS:   37 16:56:44       -2.315792        0.0731
BFGS:   38 16:56:44       -2.316047        0.0767
BFGS:   39 16:56:44       -2.316214        0.0707
BFGS:   40 16:56:44       -2.316423        0.0562
BFGS:   41 16:56:44       -2.316739        0.0276
BFGS:   42 16:56:44       -2.316943        0.0097
BFGS:   43 16:56:44       -2.316992        0.0040
BFGS:   44 16:56:44       -2.316996        0.0007
BFGS:   45 16:56:44       -2.316996        0.0001
BFGS:   46 16:56:44       -2.316996        0.0000
BFGS:   47 16:56:44       -2.316996        0.0000
BFGS:   48 16:56:44       -2.316996        0.0000
BFGS:   49 16:56:45       -2.316996        0.0000
Minimization converged after 49 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.540917226963772e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[6.625621975838723, 0.0, 0.0], [0.0, 4.685022227991355, 1.7969696760566408e-32], [0.0, -9.224553054699067e-32, 4.6850222293825885]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.39771519e-11 -5.54091723e-11 -1.26643985e-11 -8.41621265e-43
  0.00000000e+00  0.00000000e+00]
energy per atom =  -1.1584979756231402
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI2_71_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.