element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC18_5_3c_ac
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.582', '0.58252156', '0.63768352', '89.569', '0.47191332', '0.57014089', '0.15869749', '0.21755676', '0.36308617', '0.78328976', '0.11419915', '0.20577736', '0.051991382', '0.46025743', '0.26680352', '0.26211387', '0.66648872']
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 =  [[0.42985911 0.15869749 0.78244324]
 [0.63691383 0.78328976 0.88580085]
 [0.79422264 0.05199138 0.53974257]
 [0.         0.47191332 0.        ]
 [0.73319648 0.26211387 0.33351128]]
spacegroup =  5
cell =  [[8.582, 0, 0], [0, 4.9992, 0], [0.041166528761494, 0, 5.4724451643584]]
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