element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oC48_64_cdef_g
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'y3', '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:
['9.0872', '1.1380403', '0.99722687', '0.80695955', '0.38246013', '0.33281708', '0.38665552', '0.67313992', '0.13368165', '0.59041421']
model name:
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'Si']
representative atom coordinates =  [[0.25       0.25       0.        ]
 [0.80695955 0.         0.        ]
 [0.25       0.38246013 0.25      ]
 [0.         0.33281708 0.38665552]
 [0.67313992 0.13368165 0.59041421]]
spacegroup =  64
cell =  [[9.0872, 0, 0], [0, 10.3416, 0], [0, 0, 9.062]]
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