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:
Sim_LAMMPS_Buckingham_CarreHorbachIspas_2008_SiO__SM_886641404623_000
==== 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 16:53:34     -150.931500        1.7740
BFGS:    1 16:53:35     -151.063477        1.6983
BFGS:    2 16:53:35     -151.306809        1.5426
BFGS:    3 16:53:35     -151.526029        1.3782
BFGS:    4 16:53:35     -151.719727        1.2043
BFGS:    5 16:53:35     -151.886597        1.0208
BFGS:    6 16:53:35     -152.044040        0.8303
BFGS:    7 16:53:35     -152.153262        0.6264
BFGS:    8 16:53:35     -152.231493        0.4115
BFGS:    9 16:53:35     -152.300571        0.1896
BFGS:   10 16:53:35     -152.312128        0.0130
BFGS:   11 16:53:35     -152.312073        0.0003
BFGS:   12 16:53:35     -152.312083        0.0000
BFGS:   13 16:53:35     -152.312082        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.319725169448765e-29 eV/Angstrom
Maximum stress component: 1.2248642816734727e-09 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 1.74841173e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.24523518e-34]]
cellpar =  Cell([[4.4061245186845195, -2.2727948178044864e-33, -6.248436971603417e-33], [-2.7493001411978394e-32, 4.4061245186845195, -1.0123222874000449e-17], [-2.4821927693153706e-32, -1.0123222874000443e-17, 4.4061245186845195]])
forces =  [[-1.04998710e-30  1.02464259e-29  1.31972517e-29]
 [-1.41205162e-30 -8.79816780e-30  1.03459936e-29]
 [-1.35774194e-30  1.00653936e-29 -1.16946839e-29]
 [-8.32748392e-31 -8.49041296e-30 -9.43178070e-30]
 [ 1.81032259e-31  8.36369037e-30 -1.04636646e-29]
 [ 5.06890326e-31 -9.99298071e-30 -1.17308904e-29]
 [-9.05161296e-31 -9.34126457e-30  1.02102194e-29]
 [-3.25858067e-31  8.03783231e-30  1.05903872e-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 =  [-1.22486428e-09 -1.22486428e-09 -1.22486428e-09  2.22147880e-25
  5.07921871e-32 -8.47829713e-48]
energy per atom =  -12.692673537618509
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0