element(s):
['I']
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:
['8.7854', '0.43612129', '0.33737792']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['I']
representative atom coordinates =  [[0 0 0]]
spacegroup =  71
cell =  [[2.964, 0, 0], [0, 8.7854, 0], [0, 0, 3.8315]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:56:41       16.910759       52.5371
BFGS:    1 16:56:41       14.302049       45.4717
BFGS:    2 16:56:41       11.861159       39.3525
BFGS:    3 16:56:42        9.735587       34.0399
BFGS:    4 16:56:42        7.902427       29.4539
BFGS:    5 16:56:42        6.323584       25.4640
BFGS:    6 16:56:42        4.965898       21.9653
BFGS:    7 16:56:42        3.801377       18.8822
BFGS:    8 16:56:42        2.806108       16.1626
BFGS:    9 16:56:42        1.959143       13.7694
BFGS:   10 16:56:42        1.240108       11.7013
BFGS:   11 16:56:42        0.634529        9.8575
BFGS:   12 16:56:42        0.126451        8.2666
BFGS:   13 16:56:42       -0.298237        6.9000
BFGS:   14 16:56:42       -0.652071        5.7323
BFGS:   15 16:56:42       -0.946078        4.7406
BFGS:   16 16:56:42       -1.189876        3.9038
BFGS:   17 16:56:42       -1.391764        3.2024
BFGS:   18 16:56:43       -1.558827        2.6179
BFGS:   19 16:56:43       -1.697029        2.1330
BFGS:   20 16:56:43       -1.811302        1.7317
BFGS:   21 16:56:43       -1.905644        1.3991
BFGS:   22 16:56:43       -1.983226        1.1222
BFGS:   23 16:56:43       -2.046518        0.8899
BFGS:   24 16:56:43       -2.097425        0.6932
BFGS:   25 16:56:43       -2.137437        0.5250
BFGS:   26 16:56:43       -2.167754        0.3803
BFGS:   27 16:56:43       -2.189391        0.2551
BFGS:   28 16:56:43       -2.203252        0.1467
BFGS:   29 16:56:43       -2.210176        0.0794
BFGS:   30 16:56:43       -2.211377        0.0563
BFGS:   31 16:56:43       -2.211485        0.0486
BFGS:   32 16:56:43       -2.211774        0.0355
BFGS:   33 16:56:44       -2.211849        0.0271
BFGS:   34 16:56:44       -2.211914        0.0139
BFGS:   35 16:56:44       -2.211919        0.0096
BFGS:   36 16:56:44       -2.211924        0.0077
BFGS:   37 16:56:44       -2.211938        0.0071
BFGS:   38 16:56:44       -2.211948        0.0042
BFGS:   39 16:56:44       -2.211953        0.0024
BFGS:   40 16:56:44       -2.211953        0.0005
BFGS:   41 16:56:44       -2.211953        0.0000
BFGS:   42 16:56:44       -2.211953        0.0000
BFGS:   43 16:56:44       -2.211953        0.0000
BFGS:   44 16:56:44       -2.211953        0.0000
Minimization converged after 44 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.22777790978216e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.186386413756514, -3.6877351463799334e-16, 1.9114369021421724e-16], [4.843784150353676e-16, 7.304048261365759, -4.981781133865239e-17], [-1.3187532591286128e-15, -1.784843246663689e-17, 5.186386413852393]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.47358736e-12 -7.22777791e-12 -1.44881745e-12  1.33628079e-27
 -5.14842570e-28 -7.20300257e-28]
energy per atom =  -1.1059765753028021
===============================================
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.