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 16:35:16     -133.967944        17.134421
BFGS:    1 16:35:17     -136.554517        17.357754
BFGS:    2 16:35:18     -139.173761        17.563868
BFGS:    3 16:35:19     -141.823153        17.759500
BFGS:    4 16:35:21     -144.501013        17.943176
BFGS:    5 16:35:22     -147.205428        18.113289
BFGS:    6 16:35:23     -149.934234        18.268086
BFGS:    7 16:35:24     -152.684993        18.405657
BFGS:    8 16:35:25     -155.454966        18.523923
BFGS:    9 16:35:27     -158.241092        18.620618
BFGS:   10 16:35:28     -161.039950        18.693278
BFGS:   11 16:35:29     -163.847739        18.739217
BFGS:   12 16:35:30     -166.660234        18.755518
BFGS:   13 16:35:32     -169.472754        18.739005
BFGS:   14 16:35:33     -172.280123        18.686223
BFGS:   15 16:35:35     -175.076621        18.593419
BFGS:   16 16:35:36     -177.855943        18.456509
BFGS:   17 16:35:37     -180.617007        18.407713
BFGS:   18 16:35:39     -183.361277        18.173258
BFGS:   19 16:35:40     -186.069332        17.934780
BFGS:   20 16:35:41     -188.737478        17.667508
BFGS:   21 16:35:43     -191.356819        17.244803
BFGS:   22 16:35:44     -193.907077        16.745223
BFGS:   23 16:35:46     -196.376179        16.161470
BFGS:   24 16:35:47     -198.750913        15.485611
BFGS:   25 16:35:48     -201.016827        14.709026
BFGS:   26 16:35:49     -203.158118        13.822347
BFGS:   27 16:35:51     -205.157519        12.815389
BFGS:   28 16:35:52     -206.996169        11.677084
BFGS:   29 16:35:54     -208.653476        10.395397
BFGS:   30 16:35:55     -210.106967         8.957246
BFGS:   31 16:35:57     -211.332118         7.348405
BFGS:   32 16:35:58     -212.302182         5.553407
BFGS:   33 16:36:00     -212.988105         3.562634
BFGS:   34 16:36:01     -213.358960         1.343623
BFGS:   35 16:36:03     -213.415402         0.115886
BFGS:   36 16:36:04     -213.415808         0.003340
BFGS:   37 16:36:06     -213.415808         0.000008
BFGS:   38 16:36:07     -213.415808         0.000000
Minimization converged after 38 steps.
Maximum force component: 4.023974956993222e-29 eV/Angstrom
Maximum stress component: 9.347743757500566e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 2.5000000e-01 7.5000000e-01]
 [7.5000000e-01 7.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 2.5000000e-01]
 [0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 4.9082763e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.9238417457967856, -2.2830976567028822e-32, -1.2378760019250237e-32], [-5.298849321913348e-32, 3.9238417457967856, -2.147551699549353e-18], [-1.216873729631423e-32, -2.14755169954935e-18, 3.9238417457967856]])
forces =  [[-7.48046627e-30 -1.21235143e-29 -1.83787318e-30]
 [-2.32152401e-30 -1.11239692e-29 -3.47906168e-29]
 [-5.93278359e-30 -7.22251915e-30  2.65685526e-29]
 [ 1.80562979e-30 -6.15848731e-30  8.25430760e-30]
 [ 1.36711970e-29  1.62506681e-29  4.02397496e-29]
 [-6.85172018e-30  1.19300540e-29 -2.57947113e-31]
 [-1.03178845e-30  1.35744668e-29 -3.47261300e-29]
 [ 2.13290019e-29  1.08337787e-29 -2.51176001e-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 =  [-9.34774376e-11 -9.34774376e-11 -9.34774376e-11 -1.24154431e-26
 -2.13484439e-33 -4.52597879e-49]
energy per atom =  -17.784650662589076
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0