element(s):
['O', 'P']
AFLOW prototype label:
A5B2_oF56_43_a2b_b
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['16.7032', '0.76205158', '0.14162556', '0.47610414', '0.77101012', '0.080536763', '0.72683853', '0.87461361', '0.18887078', '0.74192003', '0.80991494', '0.15258521', '0.23015437']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'O', 'O', 'P']
representative atom coordinates =  [[0.         0.         0.22610414]
 [0.66946324 0.02101012 0.22683853]
 [0.56112922 0.12461361 0.24192003]
 [0.59741479 0.05991494 0.73015437]]
spacegroup =  43
cell =  [[12.7287, 0, 0], [0, 16.7032, 0], [0, 0, 2.3656]]
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