element(s):
['Al', 'O', 'Si']
AFLOW prototype label:
A2B5C_aP32_2_4i_10i_2i
Parameter names:
['a', 'b/a', 'c/a', 'alpha', 'beta', 'gamma', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', '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', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['7.2048', '1.1012381', '0.78228403', '89.9014', '101.1334', '106.0078', '0.32505552', '0.70403773', '0.45810863', '0.29733245', '0.69883411', '0.95040994', '0.099870306', '0.38625813', '0.64024665', '0.11214089', '0.91748239', '0.16513876', '0.10992186', '0.14649812', '0.12842432', '0.12337149', '0.68615518', '0.18170083', '0.27403775', '0.4547427', '0.95517716', '0.28261726', '0.93485357', '0.93472728', '0.10889145', '0.15284386', '0.66770504', '0.122455', '0.62995559', '0.63900458', '0.28136992', '0.4446318', '0.42785167', '0.2905605', '0.94687155', '0.46637646', '0.50119407', '0.27617172', '0.2446185', '0.50189622', '0.23025', '0.75590714', '0.29607757', '0.06502395', '0.70682201', '0.29084122', '0.3314888', '0.18901533']
Parameter values for parameter set 1:
['8.6134', '0.61789769', '0.95395546', '83.0537', '66.2483', '81.2349', '0.060135303', '0.20911876', '0.8908643', '0.76886766', '0.75507326', '0.83693904', '0.78748807', '0.27850395', '0.72157209', '0.86688823', '0.10342751', '0.35869003', '0.54416333', '0.61862614', '0.37035855', '0.66212992', '0.59050911', '0.74602759', '0.73796554', '0.80711084', '0.066745073', '0.78342187', '0.80853395', '0.39247129', '0.5386502', '0.13194448', '0.34218551', '0.60435', '0.088126834', '0.83465107', '0.92271581', '0.14047521', '0.12504347', '0.77660486', '0.34767252', '0.49914535', '0.096737125', '0.57666439', '0.17068729', '0.088923651', '0.03525052', '0.32400182', '0.62175615', '0.62928064', '0.5480066', '0.44963496', '0.11445748', '0.76208657']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Al', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si']
representative atom coordinates =  [[0.32505552 0.70403773 0.45810863]
 [0.29733245 0.69883411 0.95040994]
 [0.09987031 0.38625813 0.64024665]
 [0.11214089 0.91748239 0.16513876]
 [0.10992186 0.14649812 0.12842432]
 [0.12337149 0.68615518 0.18170083]
 [0.27403775 0.4547427  0.95517716]
 [0.28261726 0.93485357 0.93472728]
 [0.10889145 0.15284386 0.66770504]
 [0.122455   0.62995559 0.63900458]
 [0.28136992 0.4446318  0.42785167]
 [0.2905605  0.94687155 0.46637646]
 [0.50119407 0.27617172 0.2446185 ]
 [0.50189622 0.23025    0.75590714]
 [0.29607757 0.06502395 0.70682201]
 [0.29084122 0.3314888  0.18901533]]
spacegroup =  2
cell =  [[7.2048, 0, 0], [-2.1880001736638, 7.6265447536907, 0], [-1.0883162252511, -0.30213943083576, 5.5218683430692]]
=========================================