element(s):
['Al', 'Au']
AFLOW prototype label:
AB2_oP30_58_a2g_5g
Parameter names:
['a', 'b/a', 'c/a', 'x2', 'y2', 'x3', 'y3', 'x4', 'y4', 'x5', 'y5', 'x6', 'y6', 'x7', 'y7', 'x8', 'y8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.9913', '1.8970894', '0.3631288', '0.023846623', '0.798467', '0.97434103', '0.59885859', '0.65603669', '0.98671067', '0.64366653', '0.81308352', '0.67610354', '0.59663361', '0.63376239', '0.39468933', '0.66476989', '0.21309401']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Au', 'Au', 'Au', 'Au', 'Au']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.02384662 0.798467   0.        ]
 [0.97434103 0.59885859 0.        ]
 [0.65603669 0.98671067 0.        ]
 [0.64366653 0.81308352 0.        ]
 [0.67610354 0.59663361 0.        ]
 [0.63376239 0.39468933 0.        ]
 [0.66476989 0.21309401 0.        ]]
spacegroup =  58
cell =  [[8.9913, 0, 0], [0, 17.0573, 0], [0, 0, 3.265]]
=========================================