element(s):
['O', 'P']
AFLOW prototype label:
A5B2_hR28_161_a3b_ab
Parameter names:
['a', 'c/a', 'x1', 'x2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.606193', '1.3025423', '0.26870789', '0.37368687', '0.55390922', '0.280428', '0.43999304', '0.94406492', '0.05994984', '0.21773787', '0.10441705', '0.7794502', '0.34418934', '0.05691795', '0.87987985', '0.18726796']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'O', 'P', 'P']
representative atom coordinates =  [[0.         0.         0.26870789]
 [0.12913247 0.98478371 0.42477675]
 [0.53681404 0.18951301 0.40725088]
 [0.69506485 0.06516286 0.4093522 ]
 [0.         0.         0.37368687]
 [0.68222936 0.18742063 0.37468859]]
spacegroup =  161
cell =  [[10.6062, 0, 0], [-5.3031, 9.1852386376185, 0], [0, 0, 13.815]]
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