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_001
==== 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 13:06:11       16.910759        52.537112
BFGS:    1 13:06:11       14.302049        45.471730
BFGS:    2 13:06:11       11.861159        39.352471
BFGS:    3 13:06:11        9.735587        34.039879
BFGS:    4 13:06:11        7.902427        29.453926
BFGS:    5 13:06:11        6.323584        25.463957
BFGS:    6 13:06:11        4.965898        21.965318
BFGS:    7 13:06:12        3.801377        18.882232
BFGS:    8 13:06:12        2.806108        16.162611
BFGS:    9 13:06:12        1.959143        13.769379
BFGS:   10 13:06:12        1.240108        11.701284
BFGS:   11 13:06:12        0.634529         9.857504
BFGS:   12 13:06:12        0.126451         8.266633
BFGS:   13 13:06:12       -0.298237         6.900032
BFGS:   14 13:06:12       -0.652071         5.732321
BFGS:   15 13:06:13       -0.946078         4.740589
BFGS:   16 13:06:13       -1.189876         3.903798
BFGS:   17 13:06:13       -1.391764         3.202354
BFGS:   18 13:06:13       -1.558827         2.617855
BFGS:   19 13:06:13       -1.697029         2.132998
BFGS:   20 13:06:13       -1.811302         1.731651
BFGS:   21 13:06:13       -1.905644         1.399071
BFGS:   22 13:06:14       -1.983226         1.122191
BFGS:   23 13:06:14       -2.046518         0.889900
BFGS:   24 13:06:14       -2.097425         0.693179
BFGS:   25 13:06:14       -2.137437         0.525044
BFGS:   26 13:06:14       -2.167754         0.380289
BFGS:   27 13:06:14       -2.189391         0.255108
BFGS:   28 13:06:14       -2.203252         0.146720
BFGS:   29 13:06:14       -2.210176         0.079400
BFGS:   30 13:06:15       -2.211377         0.056277
BFGS:   31 13:06:15       -2.211485         0.048634
BFGS:   32 13:06:15       -2.211774         0.035517
BFGS:   33 13:06:15       -2.211849         0.027126
BFGS:   34 13:06:15       -2.211914         0.013917
BFGS:   35 13:06:15       -2.211919         0.009629
BFGS:   36 13:06:15       -2.211924         0.007741
BFGS:   37 13:06:16       -2.211938         0.007101
BFGS:   38 13:06:16       -2.211948         0.004204
BFGS:   39 13:06:16       -2.211953         0.002430
BFGS:   40 13:06:16       -2.211953         0.000491
BFGS:   41 13:06:16       -2.211953         0.000025
BFGS:   42 13:06:17       -2.211953         0.000001
BFGS:   43 13:06:17       -2.211953         0.000000
BFGS:   44 13:06:17       -2.211953         0.000000
Minimization converged after 44 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.2278894442152266e-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, -3.6877351463799477e-16, 1.9114369021421768e-16], [4.843784150353614e-16, 7.304048261365754, 1.440583004128088e-18], [-1.3187532591286116e-15, 5.863846341056184e-18, 5.1863864138523885]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.47364844e-12 -7.22788944e-12 -1.44897780e-12 -5.89032603e-28
 -5.14817272e-28 -7.20310876e-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.