element(s):
['Ni', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2269']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.2269, 0, 0], [0, 4.2269, 0], [0, 0, 4.2269]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:36:53     -101.541672       18.9799
BFGS:    1 14:36:53     -104.411962       19.2860
BFGS:    2 14:36:53     -107.325910       19.5610
BFGS:    3 14:36:54     -110.282367       19.8372
BFGS:    4 14:36:54     -113.273208       20.0327
BFGS:    5 14:36:54     -116.289593       20.1763
BFGS:    6 14:36:54     -119.329692       20.3401
BFGS:    7 14:36:54     -122.382798       20.3553
BFGS:    8 14:36:54     -125.432147       20.2879
BFGS:    9 14:36:54     -128.464393       20.1249
BFGS:   10 14:36:54     -131.464102       19.8515
BFGS:   11 14:36:54     -134.415874       19.4775
BFGS:   12 14:36:54     -137.298528       18.9318
BFGS:   13 14:36:54     -140.087044       18.2185
BFGS:   14 14:36:55     -142.754484       17.3132
BFGS:   15 14:36:55     -145.273863       16.2557
BFGS:   16 14:36:55     -147.612640       14.8835
BFGS:   17 14:36:55     -149.724630       13.2256
BFGS:   18 14:36:55     -151.568884       11.3569
BFGS:   19 14:36:55     -153.101217        9.0084
BFGS:   20 14:36:55     -154.250329        6.2382
BFGS:   21 14:36:55     -154.948721        2.9885
BFGS:   22 14:36:55     -155.127388        0.4795
BFGS:   23 14:36:55     -155.131664        0.0295
BFGS:   24 14:36:55     -155.131681        0.0003
BFGS:   25 14:36:55     -155.131681        0.0000
BFGS:   26 14:36:55     -155.131681        0.0000
Minimization converged after 26 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1896120339978332e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.87408977e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.10835099e-49 0.00000000e+00]
 [2.24890772e-48 5.00000000e-01 0.00000000e+00]
 [3.74817953e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.6509871494358634, -1.2300833183188154e-33, -1.4746638344753697e-32], [-1.6551863393861417e-32, 3.6509871494358634, -4.351195883672971e-17], [1.7295021929798369e-32, -4.351195883672975e-17, 3.6509871494358634]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.18961203e-13  1.18961203e-13  1.18961203e-13 -8.30083199e-30
 -3.94259917e-61 -4.44721618e-62]
energy per atom =  -19.391460079919664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0