element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tI48_121_2ij_fi
Parameter names:
['a', 'c/a', 'x1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.9556', '0.39637686', '0.15445561', '0.42048389', '0.6672946', '0.26609614', '0.98156786', '0.30021946', '0.2710218', '0.22266968', '0.92485531', '0.18977244']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.42048389 0.42048389 0.6672946 ]
 [0.26609614 0.26609614 0.98156786]
 [0.22266968 0.92485531 0.18977244]
 [0.15445561 0.         0.        ]
 [0.30021946 0.30021946 0.2710218 ]]
spacegroup =  121
cell =  [[12.9556, 0, 0], [0, 12.9556, 0], [0, 0, 5.1353]]
=========================================