element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI24_82_2g_g
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:
['8.8464', '0.57415446', '0.7098581', '0.73062541', '0.53483226', '0.50330805', '0.79536838', '0.17467696', '0.17694735', '0.32452774', '0.76675232']
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 =  [[0.7098581  0.23062541 0.28483226]
 [0.50330805 0.29536838 0.92467696]
 [0.67694735 0.32452774 0.01675232]]
spacegroup =  82
cell =  [[8.8464, 0, 0], [0, 8.8464, 0], [0, 0, 5.0792]]
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