element(s):
['Al', 'Ca', 'Si']
AFLOW prototype label:
ABC_hP3_187_a_d_e
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2061', '1.0414636']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ca', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.        ]]
spacegroup =  187
cell =  [[4.2061, 0, 0], [-2.10305, 3.6425894508577, 0], [0, 0, 4.3805]]
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