element(s):
['Al', 'Pd']
AFLOW prototype label:
AB2_oP12_62_c_2c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4893', '0.74322773', '1.4206001', '0.6990628', '0.89428418', '0.16466362', '0.93266666', '0.040548312', '0.29194873']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd', 'Pd']
representative atom coordinates =  [[0.6990628  0.25       0.89428418]
 [0.16466362 0.25       0.93266666]
 [0.04054831 0.25       0.29194873]]
spacegroup =  62
cell =  [[5.4893, 0, 0], [0, 4.0798, 0], [0, 0, 7.7981]]
=========================================