element(s):
['O', 'P']
AFLOW prototype label:
A5B2_oP28_62_3cd_2c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'y6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.66', '0.51137681', '0.7589648', '0.27569032', '0.49542795', '0.36121242', '0.83757644', '0.54014415', '0.40676747', '0.24617836', '0.70973491', '0.39580675', '0.34710765', '0.14280712', '0.99862541', '0.71912079']
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 =  [[0.27569032 0.25       0.49542795]
 [0.36121242 0.25       0.83757644]
 [0.54014415 0.25       0.40676747]
 [0.14280712 0.99862541 0.71912079]
 [0.24617836 0.25       0.70973491]
 [0.39580675 0.25       0.34710765]]
spacegroup =  62
cell =  [[9.66, 0, 0], [0, 4.9399, 0], [0, 0, 7.3316]]
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