element(s):
['Al', 'H']
AFLOW prototype label:
AB3_oC48_63_ad_cfgh
Parameter names:
['a', 'b/a', 'c/a', 'y2', 'y4', 'z4', 'x5', 'y5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4616', '1.6953386', '1.0060976', '0.051318834', '0.71556475', '0.56448639', '0.29992095', '0.20798316', '0.69310352', '0.60116324', '0.94070871']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'H', 'H', 'H', 'H']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.25       0.25       0.        ]
 [0.         0.05131883 0.25      ]
 [0.         0.71556475 0.56448639]
 [0.29992095 0.20798316 0.25      ]
 [0.19310352 0.10116324 0.94070871]]
spacegroup =  63
cell =  [[6.4616, 0, 0], [0, 10.9546, 0], [0, 0, 6.501]]
=========================================