element(s):
['Al', 'Pt']
AFLOW prototype label:
A21B8_tI116_88_a5f_2f
Parameter names:
['a', 'c/a', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['12.9952', '0.82509696', '0.40725568', '0.8202655', '0.39809635', '0.24818494', '0.83829379', '0.17669856', '0.41052557', '0.80317945', '0.024993866', '0.78128983', '0.45943242', '0.099293474', '0.49042636', '0.96846349', '0.64523092', '0.36937644', '0.84294456', '0.77939314', '0.71471928', '0.34870482', '0.91680281']
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', 'Pt', 'Pt']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.90725568 0.5702655  0.02309635]
 [0.74818494 0.58829379 0.80169856]
 [0.91052557 0.55317945 0.64999387]
 [0.28128983 0.20943242 0.72429347]
 [0.49042636 0.21846349 0.77023092]
 [0.36937644 0.09294456 0.90439314]
 [0.21471928 0.09870482 0.54180281]]
spacegroup =  88
cell =  [[12.9952, 0, 0], [0, 12.9952, 0], [0, 0, 10.7223]]
=========================================