element(s):
['Al', 'Ca']
AFLOW prototype label:
A14B13_mC54_12_gh3ij_a2i2j
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'y2', 'y3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6', 'x7', 'z7', 'x8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['15.4691', '0.63570602', '1.0006917', '143.4808', '0.64585556', '0.27483259', '0.65644064', '0.65782243', '0.89632786', '0.15523759', '0.59127705', '0.93123763', '0.38809783', '0.58481476', '0.19886644', '0.70235946', '0.42446186', '0.63504733', '0.58274378', '0.71969145', '0.79721311', '0.86602651', '0.86562754', '0.21820526', '0.72726736']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Ca', 'Ca', 'Ca', 'Ca', 'Ca']
representative atom coordinates =  [[0.         0.64585556 0.        ]
 [0.         0.27483259 0.5       ]
 [0.65644064 0.         0.65782243]
 [0.89632786 0.         0.15523759]
 [0.59127705 0.         0.93123763]
 [0.92446186 0.13504733 0.58274378]
 [0.         0.         0.        ]
 [0.38809783 0.         0.58481476]
 [0.19886644 0.         0.70235946]
 [0.21969145 0.29721311 0.86602651]
 [0.36562754 0.71820526 0.72726736]]
spacegroup =  12
cell =  [[15.4691, 0, 0], [0, 9.8338, 0], [-12.440457189828, 0, 9.2119071287147]]
=========================================