element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC24_5_4c_2c
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.0382', '1.1901196', '0.78304112', '80.0886', '0.81146923', '0.9742149', '0.43188016', '0.69401684', '0.19172755', '0.76169962', '0.81994213', '0.92906867', '0.92873698', '0.50133182', '0.90628269', '0.2498968', '0.70528806', '0.00048762245', '0.71739382', '0.26557668', '0.87432857', '0.78824212']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[1.8853077e-01 9.7421490e-01 5.6811984e-01]
 [3.0598316e-01 1.9172755e-01 2.3830038e-01]
 [1.8005787e-01 9.2906867e-01 7.1263020e-02]
 [4.9866818e-01 9.0628269e-01 7.5010320e-01]
 [2.9471194e-01 4.8762245e-04 2.8260618e-01]
 [7.3442332e-01 8.7432857e-01 2.1175788e-01]]
spacegroup =  5
cell =  [[7.0382, 0, 0], [0, 8.3763, 0], [0.94861586020801, 0, 5.4289458820071]]
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