element(s):
['H', 'O']
AFLOW prototype label:
A2B_hP36_185_2cd_2c
Parameter names:
['a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'y5', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.59', '0.94061924', '0.33218826', '0.69602695', '0.45456837', '0.5116331', '0.32839387', '0.55496068', '0.66139783', '0.43079361', '0.12270319', '0.33425235', '0.97829283']
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 =  [[0.66781174 0.         0.69602695]
 [0.54543163 0.         0.5116331 ]
 [0.78845084 0.12270319 0.97829283]
 [0.67160613 0.         0.55496068]
 [0.33860217 0.         0.43079361]]
spacegroup =  185
cell =  [[7.59, 0, 0], [-3.795, 6.5731328147239, 0], [0, 0, 7.1393]]
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