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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 16:05:48       -5.068223         5.301335
BFGS:    1 16:05:48       -5.497553         4.583220
BFGS:    2 16:05:48       -5.950351         4.841528
BFGS:    3 16:05:48       -6.361674         5.618753
BFGS:    4 16:05:48       -6.722603         6.493962
BFGS:    5 16:05:48       -7.069024         7.410748
BFGS:    6 16:05:48       -7.415658         8.386870
BFGS:    7 16:05:48       -7.765543        11.356046
BFGS:    8 16:05:48       -8.116130        15.417791
BFGS:    9 16:05:48       -8.463510        19.930402
BFGS:   10 16:05:48       -8.803128        25.058332
BFGS:   11 16:05:48       -9.147240        30.742941
BFGS:   12 16:05:48       -9.441700        34.751187
BFGS:   13 16:05:48       -9.737890        37.844794
BFGS:   14 16:05:48      -10.033641        41.061006
BFGS:   15 16:05:48      -10.328855        44.387530
BFGS:   16 16:05:48      -10.619703        47.926562
BFGS:   17 16:05:48      -10.903878        51.568739
BFGS:   18 16:05:48      -11.182194        55.361990
BFGS:   19 16:05:48      -11.452710        59.148269
BFGS:   20 16:05:48      -11.727590        62.481647
BFGS:   21 16:05:48      -12.042944        64.362636
BFGS:   22 16:05:48      -12.540635        78.817777
BFGS:   23 16:05:48      -13.636506       101.306745
BFGS:   24 16:05:48      -15.727658       103.139229
BFGS:   25 16:05:48      -17.751118       103.549973
BFGS:   26 16:05:48      -20.006297        84.370895
BFGS:   27 16:05:48      -21.606990        72.549500
BFGS:   28 16:05:48      -23.122017        41.718295
BFGS:   29 16:05:48      -24.011006        33.190439
BFGS:   30 16:05:48      -24.683803        17.416940
BFGS:   31 16:05:48      -24.903462        10.203236
BFGS:   32 16:05:48      -25.044372         5.644630
BFGS:   33 16:05:48      -25.178186         5.146721
BFGS:   34 16:05:48      -25.388257         4.145809
BFGS:   35 16:05:48      -25.523839         3.244440
BFGS:   36 16:05:48      -25.575005         3.433492
BFGS:   37 16:05:48      -25.615334         1.903454
BFGS:   38 16:05:48      -25.628484         0.714739
BFGS:   39 16:05:48      -25.630360         0.079358
BFGS:   40 16:05:48      -25.630391         0.006381
BFGS:   41 16:05:48      -25.630391         0.001994
BFGS:   42 16:05:48      -25.630391         0.000067
BFGS:   43 16:05:48      -25.630391         0.000017
BFGS:   44 16:05:49      -25.630391         0.000000
Minimization converged after 44 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8220888597774156e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7034319560165945, -1.3007922408877644e-16, 2.2917272241829835e-16], [3.716738220592257e-18, 3.8232301371440034, -2.3981558115314995e-16], [-4.99964884903021e-16, -5.562095128911752e-17, 2.703431956009609]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.26644785e-11 -5.77870307e-12 -1.82208886e-11  3.29420995e-27
  5.71184706e-27 -2.35472104e-29]
energy per atom =  -12.815195644694004
===============================================
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.