element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oP72_19_12a_6a
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0727', '1.6674946', '5.2980464', '0.42776472', '0.51303171', '0.13880112', '0.7465419', '0.78991647', '0.99019169', '0.58109236', '0.27203114', '0.98848835', '0.25001061', '0.80218774', '0.1567423', '0.081871688', '0.28801345', '0.15577575', '0.7502916', '0.72465419', '0.17570378', '0.58125593', '0.23776397', '0.17769426', '0.079133833', '0.77053897', '0.24965915', '0.58559843', '0.75533133', '0.08298266', '0.43664557', '0.25668885', '0.083282844', '0.42203639', '0.99926925', '0.028243763', '0.92878865', '0.013227504', '0.19473675', '0.38331567', '0.32397558', '0.13874358', '0.50198881', '0.69863408', '0.13856061', '0.38216819', '0.18877492', '0.027958666', '0.49884693', '0.81388649', '0.027767323', '0.88262023', '0.20211739', '0.19469832', '0.0021393339', '0.82749302', '0.19418797']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.42776472 0.51303171 0.13880112]
 [0.7465419  0.78991647 0.99019169]
 [0.58109236 0.27203114 0.98848835]
 [0.25001061 0.80218774 0.1567423 ]
 [0.08187169 0.28801345 0.15577575]
 [0.7502916  0.72465419 0.17570378]
 [0.58125593 0.23776397 0.17769426]
 [0.07913383 0.77053897 0.24965915]
 [0.58559843 0.75533133 0.08298266]
 [0.43664557 0.25668885 0.08328284]
 [0.42203639 0.99926925 0.02824376]
 [0.92878865 0.0132275  0.19473675]
 [0.38331567 0.32397558 0.13874358]
 [0.50198881 0.69863408 0.13856061]
 [0.38216819 0.18877492 0.02795867]
 [0.49884693 0.81388649 0.02776732]
 [0.88262023 0.20211739 0.19469832]
 [0.00213933 0.82749302 0.19418797]]
spacegroup =  19
cell =  [[5.0727, 0, 0], [0, 8.4587, 0], [0, 0, 26.8754]]
=========================================