element(s):
['O', 'Si']
AFLOW prototype label:
A2B_hR18_148_2f_f
Parameter names:
['a', 'c/a', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.657845', '0.57703611', '0.047561795', '0.46970065', '0.78912751', '0.81098808', '0.16963188', '0.84328788', '0.9528883', '0.22002874', '0.73366252']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'Si']
representative atom coordinates =  [[0.35366419 0.96576267 0.43546332]
 [0.56865193 0.10500407 0.27463595]
 [0.43146933 0.08216445 0.30219319]]
spacegroup =  148
cell =  [[12.6578, 0, 0], [-6.3289, 10.961976356023, 0], [0, 0, 7.304]]
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