element(s):
['O', 'Si']
AFLOW prototype label:
A2B_oC96_21_2ehk6l_4l
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'x2', 'y3', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['20.3784', '0.83007989', '0.25542241', '0.10052144', '0.29936007', '0.20911845', '0.47549265', '0.18577203', '0.35693994', '0.19589233', '0.1956713', '0.37562991', '0.69595622', '0.12009439', '0.26306378', '0.50190587', '0.085462652', '0.14583802', '0.18232417', '0.097615551', '0.11893344', '0.68122464', '0.69991583', '0.60249463', '0.99521255', '0.18840254', '0.31083145', '0.46832427', '0.076141402', '0.18385106', '0.4667168', '0.62107522', '0.59200047', '0.96565829', '0.77895269', '0.5922375', '0.97149323']
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', 'O', 'O', 'Si', 'Si', 'Si', 'Si']
representative atom coordinates =  [[0.10052144 0.         0.        ]
 [0.29936007 0.         0.        ]
 [0.         0.20911845 0.5       ]
 [0.25       0.25       0.47549265]
 [0.68577203 0.85693994 0.19589233]
 [0.6956713  0.87562991 0.69595622]
 [0.62009439 0.76306378 0.50190587]
 [0.58546265 0.64583802 0.18232417]
 [0.59761555 0.61893344 0.68122464]
 [0.19991583 0.10249463 0.99521255]
 [0.68840254 0.81083145 0.46832427]
 [0.5761414  0.68385106 0.4667168 ]
 [0.12107522 0.09200047 0.96565829]
 [0.27895269 0.0922375  0.97149323]]
spacegroup =  21
cell =  [[20.3784, 0, 0], [0, 16.9157, 0], [0, 0, 5.2051]]
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