element(s):
['H', 'O']
AFLOW prototype label:
A2B_tP36_92_3b_ab
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5377', '1.0609542', '0.39584858', '0.98730823', '0.33930339', '0.19686944', '0.11559022', '0.15477442', '0.28634219', '0.29944526', '0.36090424', '0.1075694', '0.1124648', '0.30762733', '0.2743784']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'H', 'H', 'O', 'O']
representative atom coordinates =  [[0.98730823 0.33930339 0.19686944]
 [0.11559022 0.15477442 0.28634219]
 [0.29944526 0.36090424 0.1075694 ]
 [0.39584858 0.39584858 0.        ]
 [0.1124648  0.30762733 0.2743784 ]]
spacegroup =  92
cell =  [[6.5377, 0, 0], [0, 6.5377, 0], [0, 0, 6.9362]]
=========================================