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 16:55:21     -101.541672        18.979885
BFGS:    1 16:55:21     -104.411962        19.285954
BFGS:    2 16:55:22     -107.325910        19.561045
BFGS:    3 16:55:22     -110.282367        19.837173
BFGS:    4 16:55:23     -113.273208        20.032745
BFGS:    5 16:55:23     -116.289593        20.176338
BFGS:    6 16:55:24     -119.329692        20.340063
BFGS:    7 16:55:24     -122.382798        20.355266
BFGS:    8 16:55:25     -125.432147        20.287913
BFGS:    9 16:55:25     -128.464393        20.124917
BFGS:   10 16:55:26     -131.464102        19.851453
BFGS:   11 16:55:27     -134.415874        19.477494
BFGS:   12 16:55:27     -137.298528        18.931830
BFGS:   13 16:55:28     -140.087044        18.218498
BFGS:   14 16:55:28     -142.754484        17.313175
BFGS:   15 16:55:29     -145.273863        16.255652
BFGS:   16 16:55:29     -147.612640        14.883484
BFGS:   17 16:55:30     -149.724630        13.225580
BFGS:   18 16:55:30     -151.568884        11.356905
BFGS:   19 16:55:31     -153.101217         9.008381
BFGS:   20 16:55:32     -154.250329         6.238230
BFGS:   21 16:55:32     -154.948721         2.988525
BFGS:   22 16:55:33     -155.127388         0.479529
BFGS:   23 16:55:33     -155.131664         0.029521
BFGS:   24 16:55:34     -155.131681         0.000268
BFGS:   25 16:55:35     -155.131681         0.000000
BFGS:   26 16:55:35     -155.131681         0.000000
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