element(s):
['O', 'Si']
AFLOW prototype label:
A2B_tP48_125_ijlm_n
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', '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:
['12.3665', '0.35354385', '0.8757753', '0.93750359', '0.49806266', '0.40337147', '0.86804411', '0.64494387', '0.52187962', '0.26016419']
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 =  [[0.6257753  0.6257753  0.        ]
 [0.68750359 0.68750359 0.5       ]
 [0.24806266 0.         0.5       ]
 [0.65337147 0.15337147 0.86804411]
 [0.39494387 0.27187962 0.26016419]]
spacegroup =  125
cell =  [[12.3665, 0, 0], [0, 12.3665, 0], [0, 0, 4.3721]]
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