element(s):
['H', 'O']
AFLOW prototype label:
A2B_oI48_72_cdefg_k
Parameter names:
['a', 'b/a', 'c/a', 'x4', 'y5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.0072', '0.5810021', '0.96168448', '0.88169955', '0.72484529', '0.37914289', '0.28069572', '0.83572883']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'H', 'H', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.5        0.         0.        ]
 [0.25       0.25       0.25      ]
 [0.         0.88169955 0.25      ]
 [0.27515471 0.         0.25      ]
 [0.71930428 0.37914289 0.83572883]]
spacegroup =  72
cell =  [[4.6522, 0, 0], [0, 8.0072, 0], [0, 0, 7.7004]]
=========================================