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 16:08:49     -150.931500         1.773999
BFGS:    1 16:08:49     -151.063477         1.698341
BFGS:    2 16:08:49     -151.306809         1.542646
BFGS:    3 16:08:49     -151.526029         1.378183
BFGS:    4 16:08:49     -151.719727         1.204251
BFGS:    5 16:08:49     -151.886597         1.020780
BFGS:    6 16:08:49     -152.044040         0.830337
BFGS:    7 16:08:49     -152.153262         0.626391
BFGS:    8 16:08:49     -152.231493         0.411543
BFGS:    9 16:08:49     -152.300571         0.189649
BFGS:   10 16:08:49     -152.312128         0.012995
BFGS:   11 16:08:49     -152.312073         0.000263
BFGS:   12 16:08:49     -152.312083         0.000000
BFGS:   13 16:08:49     -152.312082         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.88868392591692e-30 eV/Angstrom
Maximum stress component: 1.2248649146159941e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.49682345e-34]]
cellpar =  Cell([[4.4061245186845195, 2.2841779554452195e-33, 3.8395432539508683e-32], [1.033862328926899e-32, 4.4061245186845195, -2.2338622798021997e-17], [8.419534845055917e-33, -2.233862279802197e-17, 4.4061245186845195]])
forces =  [[ 5.06890326e-31  5.57579358e-30  5.93333229e-30]
 [ 2.28100647e-30 -8.44515489e-30  2.96892905e-30]
 [ 5.97406455e-31  4.85166455e-30 -5.46717423e-30]
 [ 1.37584517e-30 -8.88868393e-30 -4.05512261e-30]
 [-1.44825807e-31  7.31370327e-30 -2.78789679e-30]
 [-5.06890326e-31 -6.85207101e-30 -2.82410324e-30]
 [-3.98270970e-31 -6.88827746e-30  6.33612907e-30]
 [-9.05161296e-32  7.31370327e-30  5.20467745e-30]
 [ 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 =  [-1.22486491e-09 -1.22486491e-09 -1.22486491e-09 -2.68142793e-26
  9.19622548e-58  2.73325270e-58]
energy per atom =  -12.69267353761851
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0