element(s):
['O', 'Si']
AFLOW prototype label:
A2B_mC72_12_2ghi4j_3j
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y1', 'y2', 'y3', 'x4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', '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:
['13.375', '1.6462953', '0.96721495', '158.0093', '0.096012446', '0.27123811', '0.56079926', '0.82142989', '0.93387838', '0.17737524', '0.70610318', '0.56443305', '0.69414831', '0.71530866', '0.02531264', '0.59903848', '0.81076724', '0.28787689', '0.88339149', '0.60811302', '0.21326127', '0.4383516', '0.75098676', '0.82270053', '0.031163297', '0.67901558', '0.72181474', '0.76002889', '0.56734201', '0.18842256']
model name:
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.         0.09601245 0.        ]
 [0.         0.27123811 0.        ]
 [0.         0.06079926 0.5       ]
 [0.88755151 0.         0.7089814 ]
 [0.11294219 0.20610318 0.79031743]
 [0.16883567 0.21530866 0.36298398]
 [0.81116159 0.31076724 0.91020007]
 [0.17013022 0.10811302 0.55352171]
 [0.11565107 0.25098676 0.05400267]
 [0.80934856 0.17901558 0.34051185]
 [0.07160633 0.06734201 0.33163522]]
spacegroup =  12
cell =  [[14.372, 0, 0], [0, 22.0192, 0], [-2.2464020802873, 0, 4.508107356051]]
=========================================