element(s):
['Al', 'Au']
AFLOW prototype label:
AB_mP8_11_2e_2e
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4739', '0.51401783', '0.99687978', '92.9612', '0.81795767', '0.42036014', '0.31911071', '0.042039596', '0.97253683', '0.80659101', '0.50507911', '0.68852277']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Au', 'Au']
representative atom coordinates =  [[0.18204233 0.25       0.57963986]
 [0.68088929 0.25       0.9579604 ]
 [0.02746317 0.25       0.19340899]
 [0.49492089 0.25       0.31147723]]
spacegroup =  11
cell =  [[6.4739, 0, 0], [0, 3.3277, 0], [-0.33339610654779, 0, 6.4450826779909]]
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