element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oF216_69_himn3p_f2mp
Parameter names:
['a', 'b/a', 'c/a', 'y2', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['17.7678', '0.77069193', '1.0163498', '0.30258737', '0.14901072', '0.81312348', '0.11580757', '0.30035649', '0.91112624', '0.39011746', '0.68350519', '0.84874492', '0.31836228', '0.80138639', '0.31809018', '0.80381751', '0.92508985', '0.37370542', '0.73399681', '0.92491515', '0.35608132', '0.88131546', '0.87530517', '0.38693959', '0.80936779']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.30258737 0.        ]
 [0.         0.         0.14901072]
 [0.         0.81312348 0.11580757]
 [0.84874492 0.         0.31836228]
 [0.80138639 0.81809018 0.30381751]
 [0.92508985 0.37370542 0.73399681]
 [0.92491515 0.35608132 0.88131546]
 [0.25       0.25       0.25      ]
 [0.         0.30035649 0.91112624]
 [0.         0.39011746 0.68350519]
 [0.87530517 0.38693959 0.80936779]]
spacegroup =  69
cell =  [[17.7678, 0, 0], [0, 13.6935, 0], [0, 0, 18.0583]]
=========================================