element(s):
['O', 'Si']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5839']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Si']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.5839, 0, 0], [0, 4.5839, 0], [0, 0, 4.5839]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:26     -133.967944        17.134421
BFGS:    1 17:10:26     -136.554517        17.357754
BFGS:    2 17:10:27     -139.173761        17.563868
BFGS:    3 17:10:27     -141.823153        17.759500
BFGS:    4 17:10:27     -144.501013        17.943176
BFGS:    5 17:10:27     -147.205428        18.113289
BFGS:    6 17:10:28     -149.934234        18.268086
BFGS:    7 17:10:28     -152.684993        18.405657
BFGS:    8 17:10:29     -155.454966        18.523923
BFGS:    9 17:10:29     -158.241092        18.620618
BFGS:   10 17:10:29     -161.039950        18.693278
BFGS:   11 17:10:29     -163.847739        18.739217
BFGS:   12 17:10:30     -166.660234        18.755518
BFGS:   13 17:10:30     -169.472754        18.739005
BFGS:   14 17:10:31     -172.280123        18.686223
BFGS:   15 17:10:31     -175.076621        18.593419
BFGS:   16 17:10:31     -177.855943        18.456509
BFGS:   17 17:10:32     -180.617007        18.407713
BFGS:   18 17:10:33     -183.361277        18.173258
BFGS:   19 17:10:33     -186.069332        17.934780
BFGS:   20 17:10:33     -188.737478        17.667508
BFGS:   21 17:10:34     -191.356819        17.244803
BFGS:   22 17:10:34     -193.907077        16.745223
BFGS:   23 17:10:34     -196.376179        16.161470
BFGS:   24 17:10:34     -198.750913        15.485611
BFGS:   25 17:10:35     -201.016827        14.709026
BFGS:   26 17:10:35     -203.158118        13.822347
BFGS:   27 17:10:35     -205.157519        12.815389
BFGS:   28 17:10:36     -206.996169        11.677084
BFGS:   29 17:10:36     -208.653476        10.395397
BFGS:   30 17:10:36     -210.106967         8.957246
BFGS:   31 17:10:37     -211.332118         7.348405
BFGS:   32 17:10:37     -212.302182         5.553407
BFGS:   33 17:10:38     -212.988105         3.562634
BFGS:   34 17:10:38     -213.358960         1.343623
BFGS:   35 17:10:38     -213.415402         0.115886
BFGS:   36 17:10:39     -213.415808         0.003340
BFGS:   37 17:10:39     -213.415808         0.000008
BFGS:   38 17:10:40     -213.415808         0.000000
Minimization converged after 38 steps.
Maximum force component: 1.3040435670424247e-29 eV/Angstrom
Maximum stress component: 9.347483295369799e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.96331052e-34]]
cellpar =  Cell([[3.9238417457967856, -1.6894842200702514e-32, 2.9636278252804385e-33], [-1.029275040785176e-32, 3.9238417457967856, 4.007229580838809e-18], [-3.55834072265248e-33, 4.0072295808388086e-18, 3.9238417457967856]])
forces =  [[ 2.57947113e-31 -1.00599374e-29  4.46570939e-30]
 [ 3.47422517e-30  7.11772814e-30 -5.54586292e-30]
 [ 3.54677280e-30 -1.23814614e-29 -2.45049757e-30]
 [ 3.61125958e-30  7.25476254e-30 -1.19945407e-29]
 [-3.86920669e-31 -1.03178845e-29  8.83468861e-30]
 [ 2.08171381e-30  1.16962894e-29  2.70844468e-30]
 [ 5.80381003e-31  1.07370486e-29  6.44867782e-31]
 [ 2.25703724e-31 -1.00599374e-29  1.30404357e-29]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-9.34748330e-11 -9.34748330e-11 -9.34748330e-11  4.12269882e-28
 -4.26968879e-33  2.14014176e-50]
energy per atom =  -17.784650662589062
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0