element(s):
['Ca', 'H', 'O']
AFLOW prototype label:
AB2C2_hP5_164_a_d_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.625', '1.3884966', '0.57862924', '0.7719773']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'H', 'O']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.57862924]
 [0.33333333 0.66666667 0.7719773 ]]
spacegroup =  164
cell =  [[3.625, 0, 0], [-1.8125, 3.1393420887186, 0], [0, 0, 5.0333]]
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