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 15:21:51       -5.068223        5.3013
BFGS:    1 15:21:51       -5.497553        4.5832
BFGS:    2 15:21:52       -5.950351        4.8415
BFGS:    3 15:21:52       -6.361674        5.6188
BFGS:    4 15:21:52       -6.722603        6.4940
BFGS:    5 15:21:52       -7.069024        7.4107
BFGS:    6 15:21:52       -7.415658        8.3869
BFGS:    7 15:21:52       -7.765543       11.3560
BFGS:    8 15:21:53       -8.116130       15.4178
BFGS:    9 15:21:53       -8.463510       19.9304
BFGS:   10 15:21:53       -8.803128       25.0583
BFGS:   11 15:21:53       -9.147240       30.7429
BFGS:   12 15:21:53       -9.441700       34.7512
BFGS:   13 15:21:54       -9.737890       37.8448
BFGS:   14 15:21:54      -10.033641       41.0610
BFGS:   15 15:21:54      -10.328855       44.3875
BFGS:   16 15:21:54      -10.619703       47.9266
BFGS:   17 15:21:54      -10.903878       51.5687
BFGS:   18 15:21:55      -11.182194       55.3620
BFGS:   19 15:21:55      -11.452710       59.1483
BFGS:   20 15:21:55      -11.727590       62.4816
BFGS:   21 15:21:55      -12.042944       64.3626
BFGS:   22 15:21:56      -12.540635       78.8178
BFGS:   23 15:21:56      -13.636506      101.3067
BFGS:   24 15:21:56      -15.727658      103.1392
BFGS:   25 15:21:56      -17.751118      103.5500
BFGS:   26 15:21:57      -20.006297       84.3709
BFGS:   27 15:21:57      -21.606990       72.5495
BFGS:   28 15:21:57      -23.122017       41.7183
BFGS:   29 15:21:58      -24.011006       33.1904
BFGS:   30 15:21:58      -24.683803       17.4169
BFGS:   31 15:21:58      -24.903462       10.2032
BFGS:   32 15:21:58      -25.044372        5.6446
BFGS:   33 15:21:59      -25.178186        5.1467
BFGS:   34 15:21:59      -25.388257        4.1458
BFGS:   35 15:21:59      -25.523839        3.2444
BFGS:   36 15:21:59      -25.575005        3.4335
BFGS:   37 15:22:00      -25.615334        1.9035
BFGS:   38 15:22:00      -25.628484        0.7147
BFGS:   39 15:22:00      -25.630360        0.0794
BFGS:   40 15:22:00      -25.630391        0.0064
BFGS:   41 15:22:01      -25.630391        0.0020
BFGS:   42 15:22:01      -25.630391        0.0001
BFGS:   43 15:22:01      -25.630391        0.0000
BFGS:   44 15:22:02      -25.630391        0.0000
Minimization converged after 44 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.82266995161822e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7034319560165936, -1.3007922408877632e-16, 2.291727224183015e-16], [3.7167382205922676e-18, 3.8232301371440034, -1.4904691755221706e-16], [-4.999648849030184e-16, -6.451780737272222e-17, 2.703431956009608]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.26589616e-11 -5.78286707e-12 -1.82266995e-11 -4.36241392e-27
  5.71189807e-27 -2.35499432e-29]
energy per atom =  -12.815195644694002
===============================================
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.