element(s):
['H', 'Na', 'O']
AFLOW prototype label:
ABC_oC12_63_c_c_c
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'y2', 'y3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4234', '3.3659812', '0.99658235', '0.051294856', '0.33725896', '0.13574885']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Na', 'O']
representative atom coordinates =  [[0.         0.05129486 0.25      ]
 [0.         0.33725896 0.25      ]
 [0.         0.13574885 0.25      ]]
spacegroup =  63
cell =  [[3.4234, 0, 0], [0, 11.5231, 0], [0, 0, 3.4117]]
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